474	727	931	5:SP3_SP2_SPD5	C[3x5]	C[5,6a]	Si[3x5]	3:3:3:5:	4:3:3:	4:2:2:2:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:Si[3x5]-5:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:O-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O)	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH)	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O){3|H<1>,6|C<3>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH){6|C<3>}	103.5560	0.858	3	103.5560	0.736	3	103.5560	0.736	3	103.5560	0.736	3	103.5560	0.736	3	103.5560	0.736	3
474	727	941	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	N	3:4:4:2:	4:3:3:	4:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	108.0360	4.275	2	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	N	3:4:4:2:	4:3:3:	4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	108.0360	4.275	2	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,5a]	N	3:4:2:1:	3:3:4:	4:2:	C[5,5a]-3:C[5]-4:N-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:N-2:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	N(C[5]C[5,5a]C[5]H)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN){1|O<2>,2|C<3>,3|H<1>}	N(C[5]C[5,5a]C[5]H)(NN)	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:1:	3:3:4:	4:3:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:1:	3:3:4:	4:3:	C[5,6a]-3:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2)	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	108.3628	1.052	4	108.3628	1.107	4	109.6125	3.505	12	110.1873	3.742	16	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	110.0585	2.695	4	110.0585	7.262	4	109.6125	3.505	12	110.1873	3.742	16	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	110.4162	1.129	4	110.4162	1.274	4	109.6125	3.505	12	110.1873	3.742	16	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	112.4890	0.000	2	112.4890	0.000	2	111.9118	0.572	4	110.1873	3.742	16	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]O)	111.3345	0.619	2	111.3345	0.383	2	111.9118	0.572	4	110.1873	3.742	16	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:4:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]C)	108.3830	0.235	2	108.3830	0.055	2	108.3830	0.055	2	108.3830	0.055	2	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:2:	3:3:4:	3:4:	C[5,6a]-3:N[5]-3:N-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5]N)	109.2990	0.977	2	109.2990	0.955	2	109.2990	0.955	2	109.2990	0.955	2	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:2:	3:4:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[6a]C[5])(CS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CS)	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:3:4:2:	3:3:4:	4:2:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	N(C[5]C[5,6a]C[5]C)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5]C)(NN)	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:1:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N(C[5]C[5,6a]C[5]H)(C)	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:2:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	N(C[5]C[5,6a]C[5]H)(CO)	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	114.4065	0.005	2	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:2:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(NN)	114.3580	0.000	1	114.3580	0.000	1	114.3580	0.000	1	114.4065	0.005	2	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	N(C[5]C[5,6a]C[5]H)(CCH)	113.4220	0.000	1	113.4220	0.000	1	113.4847	0.190	3	113.4847	0.190	3	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	N(C[5]C[5,6a]C[5]H)(CC[5a]H)	113.0830	0.000	1	113.0830	0.000	1	113.4847	0.190	3	113.4847	0.190	3	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	N(C[5]C[5,6a]C[5]H)(CNO)	113.9490	0.000	1	113.9490	0.000	1	113.4847	0.190	3	113.4847	0.190	3	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:3:4:	4:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	941	0:SP3_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:1:	3:4:3:	4:2:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,5]H)(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]C[5,5]H)(NN)	113.9940	0.000	1	113.9940	0.000	1	113.9940	0.000	1	113.9940	0.000	1	111.1087	5.197	32	110.9651	5.435	35
474	727	945	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:1:	3:3:4:	4:4:4:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5]H)3	111.0510	0.756	3	111.0510	0.571	3	111.0510	0.571	3	111.0510	0.571	3	110.3095	14.206	10	110.3095	14.206	10
474	727	945	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	109.8100	3.895	2	109.8100	15.169	2	109.8100	15.169	2	109.8100	15.169	2	110.3095	14.206	10	110.3095	14.206	10
474	727	945	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:P-3:P-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	109.4070	5.786	4	109.4070	33.483	4	109.4070	33.483	4	109.4070	33.483	4	110.3095	14.206	10	110.3095	14.206	10
474	727	945	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:4:3:1:	3:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	110.3095	14.206	10	110.3095	14.206	10
474	727	951	0:SP3_SP-NON_SP2	C[3x5,6]	C[5,6,6a]	H	4:4:3:1:	4:3:3:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	116.4267	0.146	3	116.4267	0.021	3	116.4267	0.021	3	116.4267	0.021	3	116.4267	0.021	3	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.3260	0.000	1	110.5760	0.107	4	110.5760	0.107	4	110.5760	0.107	4	110.8042	0.341	5	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])	110.6593	0.346	3	110.5760	0.107	4	110.5760	0.107	4	110.5760	0.107	4	110.8042	0.341	5	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H)	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6a]C[4x6])	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	110.8042	0.341	5	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	115.9370	0.000	1	115.9370	0.000	1	116.1210	0.068	2	116.1210	0.068	2	116.1210	0.068	2	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	H(C[5,5,6,6]C[5,6,6a]C[5,5,6]C[5,6,6])	116.3050	0.000	1	116.3050	0.000	1	116.1210	0.068	2	116.1210	0.068	2	116.1210	0.068	2	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	117.7875	0.698	2	117.7875	0.487	2	117.9257	0.527	4	117.9257	0.527	4	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	118.0640	1.008	2	118.0640	1.017	2	117.9257	0.527	4	117.9257	0.527	4	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6])	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6]){1|Pt<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.8960	0.291	4	115.8960	0.085	4	116.0135	0.268	13	116.0135	0.268	13	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	116.1055	0.755	6	116.0689	0.412	8	116.0135	0.268	13	116.0135	0.268	13	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	115.9590	0.066	2	116.0689	0.412	8	116.0135	0.268	13	116.0135	0.268	13	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])	116.0400	0.000	1	116.0400	0.000	1	116.0135	0.268	13	116.0135	0.268	13	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,5a,6]C[5,5,6]C[5,5])	116.1725	0.064	2	116.1725	0.004	2	116.1725	0.004	2	116.1725	0.004	2	116.4328	0.897	19	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:2:3:1:	3:4:3:	4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.9990	0.000	1	116.1356	0.015	5	116.1356	0.015	5	116.1356	0.015	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:2:3:1:	3:4:3:	4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	116.1795	0.093	2	116.1356	0.015	5	116.1356	0.015	5	116.1356	0.015	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:2:3:1:	3:4:3:	4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	116.1600	0.163	2	116.1356	0.015	5	116.1356	0.015	5	116.1356	0.015	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[6a,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(C[5,5,6]C[5,6]O[5,5]H){2|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.7807	0.364	4	115.7807	0.132	4	115.7807	0.132	4	115.7807	0.132	4	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a])	H(C[5,5,6]C[5,6,6a]2O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a]){2|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]2O[5,5])	116.0075	0.664	2	116.0075	0.441	2	116.0075	0.441	2	116.0075	0.441	2	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	116.0710	0.117	2	116.0710	0.014	2	116.0710	0.014	2	116.0555	0.141	4	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]2O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]2O[5,5])	116.0400	0.639	2	116.0400	0.409	2	116.0400	0.409	2	116.0555	0.141	4	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.3340	0.222	2	116.3340	0.049	2	116.3340	0.049	2	116.3340	0.049	2	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.0455	0.327	2	117.0455	0.107	2	117.2551	0.091	8	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.0325	0.333	2	117.0325	0.111	2	117.2551	0.091	8	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.5345	0.131	2	117.5345	0.017	2	117.2551	0.091	8	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.4080	0.115	2	117.4080	0.013	2	117.2551	0.091	8	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Mn)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Mn)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.0390	0.099	4	116.0390	0.010	4	116.4050	0.084	20	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.5934	0.158	8	116.5934	0.025	8	116.4050	0.084	20	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Ni)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Ni)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.1412	0.085	4	116.1412	0.007	4	116.4050	0.084	20	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2N[5,5])	116.6577	0.090	4	116.6577	0.008	4	116.4050	0.084	20	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.5395	0.057	4	116.5395	0.003	4	116.3471	0.030	11	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.2630	0.115	3	116.2630	0.013	3	116.3471	0.030	11	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.2177	0.105	4	116.2177	0.011	4	116.3471	0.030	11	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2Si[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2Si[5,5])	117.4815	0.201	4	117.4815	0.040	4	117.4815	0.040	4	116.6485	0.252	43	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.0432	0.137	6	117.0432	0.019	6	117.0432	0.019	6	117.0432	0.019	6	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[3x5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[5,5,6]C[5,6,6a]C[3x5]C[5,6])	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	114.6480	0.000	1	114.6480	0.000	1	114.6480	0.000	1	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.7705	0.103	2	115.7705	0.011	2	115.9600	0.041	6	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1145	0.008	2	116.1145	0.000	2	115.9600	0.041	6	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	115.8070	0.000	1	115.8070	0.000	1	115.9600	0.041	6	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.1830	0.000	1	116.1830	0.000	1	115.9600	0.041	6	116.0896	1.044	8	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:2:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	117.0233	0.121	6	117.0233	0.015	6	117.0233	0.015	6	117.0233	0.015	6	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	116.9145	0.086	4	116.9145	0.007	4	116.9121	0.010	8	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]2C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]2C[5,5])	116.9098	0.127	4	116.9098	0.016	4	116.9121	0.010	8	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Ge[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2Ge[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2Ge[5,5])	117.2250	0.063	4	117.2250	0.004	4	117.2250	0.004	4	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]ClNi)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]ClNi)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.5458	0.160	23	116.5458	0.026	23	116.5811	0.047	31	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]HS)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]HS)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.9822	0.061	4	116.9822	0.004	4	116.5811	0.047	31	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]NiN)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2P[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]NiN)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]2P[5,5])	116.3825	0.051	4	116.3825	0.003	4	116.5811	0.047	31	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2Si[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,6,6a]2Si[5,5])	117.5152	0.032	4	117.5152	0.001	4	116.2276	2.124	8	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]2Si[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]2Si[5,5])	114.9400	0.731	4	114.9400	0.534	4	116.2276	2.124	8	116.6281	0.396	51	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.2090	0.013	2	115.2090	0.000	2	115.2090	0.000	2	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.8950	0.000	1	114.8950	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9750	0.000	1	114.7513	0.038	3	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.6395	0.016	2	114.7513	0.038	3	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.1070	0.000	1	114.9975	0.024	2	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.8880	0.000	1	114.9975	0.024	2	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.6810	0.000	1	114.6810	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0070	0.124	2	115.0070	0.015	2	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0350	0.000	1	115.0350	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.3540	0.000	1	115.3540	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9415	0.104	2	114.9377	0.009	6	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9175	0.156	2	114.9377	0.009	6	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	115.0210	0.000	1	114.9377	0.009	6	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.8870	0.000	1	114.9377	0.009	6	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,1|P<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9360	0.000	1	114.9360	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9490	0.153	2	114.9490	0.023	2	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.9870	0.000	1	114.9870	0.000	1	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])	114.5125	0.136	2	114.5125	0.019	2	114.9000	0.041	23	114.9247	0.045	25	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	115.2055	0.050	2	115.2055	0.003	2	115.5090	0.232	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	115.4100	0.000	1	115.4100	0.000	1	115.5090	0.232	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	116.2150	0.000	1	116.2150	0.000	1	115.5090	0.232	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.2350	0.000	1	115.2350	0.000	1	115.3777	0.023	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.3780	0.000	1	115.3780	0.000	1	115.3777	0.023	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.3100	0.000	1	115.4490	0.039	2	115.3777	0.023	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.5880	0.000	1	115.4490	0.039	2	115.3777	0.023	4	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	115.0680	0.000	1	115.0680	0.000	1	115.2323	0.544	6	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	115.0210	0.000	1	114.8975	0.031	2	115.2323	0.544	6	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.7740	0.000	1	114.8975	0.031	2	115.2323	0.544	6	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	114.9090	0.197	2	115.5103	1.104	3	115.2323	0.544	6	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	116.7130	0.000	1	115.5103	1.104	3	115.2323	0.544	6	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]S[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]S[5,5])	118.7740	0.626	2	118.7740	0.392	2	118.7740	0.392	2	115.7441	1.557	17	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:2:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2){5|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.7133	0.527	6	116.7133	0.278	6	116.8557	0.261	10	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	117.4195	0.384	2	117.4195	0.147	2	116.8557	0.261	10	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.7190	0.124	2	116.7190	0.015	2	116.8557	0.261	10	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	116.0960	0.000	1	116.0960	0.000	1	118.3526	1.868	7	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	119.9110	0.577	2	118.7287	1.053	6	118.3526	1.868	7	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<6>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	118.1375	0.496	4	118.7287	1.053	6	118.3526	1.868	7	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	117.4484	1.350	18	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	109.5185	0.015	2	109.5185	0.000	2	112.1617	20.959	3	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	117.4480	0.000	1	117.4480	0.000	1	112.1617	20.959	3	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.6232	0.156	4	115.6232	0.024	4	115.6882	0.081	8	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.4835	0.162	2	115.4835	0.026	2	115.6882	0.081	8	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	116.2920	0.000	1	116.2920	0.000	1	115.6882	0.081	8	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	115.7540	0.000	1	115.7540	0.000	1	115.6882	0.081	8	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])	116.1451	0.126	7	116.1451	0.016	7	116.1451	0.016	7	115.3505	4.451	19	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9535	0.129	2	115.9535	0.017	2	116.0166	0.018	5	116.0166	0.018	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0835	0.197	2	116.0835	0.039	2	116.0166	0.018	5	116.0166	0.018	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0090	0.000	1	116.0090	0.000	1	116.0166	0.018	5	116.0166	0.018	5	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.3280	0.000	1	116.3280	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8900	0.000	1	115.8900	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.1400	0.137	2	116.1400	0.019	2	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	114.1510	0.000	1	114.1510	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	114.1450	0.000	1	114.1450	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9567	0.626	16	115.9567	0.392	16	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.7592	0.095	4	115.6588	0.388	31	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9908	0.381	4	115.6588	0.388	31	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.7415	0.282	2	115.6588	0.388	31	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.6040	1.084	6	115.6588	0.388	31	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.5545	0.570	15	115.6588	0.388	31	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8975	0.047	4	115.9352	0.346	10	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0113	0.991	4	115.9352	0.346	10	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8585	0.350	2	115.9352	0.346	10	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.9266	0.345	18	115.9266	0.119	18	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8585	0.274	4	115.8585	0.075	4	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.8800	0.000	1	115.8800	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	115.2805	0.333	2	115.5490	0.272	3	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.0860	0.000	1	115.5490	0.272	3	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H){1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<5>,1|O<2>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.3890	0.000	1	116.3890	0.000	1	115.7990	0.354	90	115.8044	0.352	91	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	115.9980	0.000	1	116.0550	0.006	2	116.0550	0.006	2	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.1120	0.000	1	116.0550	0.006	2	116.0550	0.006	2	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a])	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.9185	0.103	4	115.9185	0.011	4	115.9560	0.009	7	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	116.0480	0.027	2	116.0480	0.001	2	115.9560	0.009	7	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])	115.9220	0.000	1	115.9220	0.000	1	115.9560	0.009	7	116.0079	0.018	10	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	3:5:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-5:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,5|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	3:4:3:	4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	115.9693	1.790	3	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a])	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	115.9693	1.790	3	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,6])	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	115.9693	1.790	3	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]O[5,5])	114.7315	0.112	2	114.7315	0.013	2	114.7315	0.013	2	115.1431	0.217	15	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	115.2041	0.191	8	115.2041	0.036	8	115.0835	0.112	11	115.1431	0.217	15	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])	114.7620	0.470	3	114.7620	0.221	3	115.0835	0.112	11	115.1431	0.217	15	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.1431	0.217	15	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	115.1431	0.217	15	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,6])	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	114.2230	15.081	2	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	114.2230	15.081	2	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:4:1:	3:3:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H){1|C<4>,1|N<3>,2|O<2>,6|C<3>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])	115.6325	0.042	2	115.6325	0.002	2	115.6325	0.002	2	114.7228	4.434	4	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,6,6a]C[5,5])	113.8130	3.161	2	113.8130	9.990	2	113.8130	9.990	2	114.7228	4.434	4	116.0389	1.233	344	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.1130	0.000	1	112.1130	0.000	1	112.5290	0.346	2	112.5290	0.346	2	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	112.9450	0.000	1	112.9450	0.000	1	112.5290	0.346	2	112.5290	0.346	2	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O){2|H<1>,3|C<3>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.1550	0.000	1	111.1550	0.000	1	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.0573	0.382	7	112.0573	0.146	7	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9480	0.000	1	111.9390	0.000	2	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9300	0.000	1	111.9390	0.000	2	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.5825	0.069	2	110.5825	0.005	2	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	110.5110	0.119	2	110.5110	0.014	2	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.0230	0.000	1	111.0230	0.000	1	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9710	0.000	1	111.8420	0.187	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.3600	0.000	1	111.8420	0.187	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.1950	0.000	1	111.8420	0.187	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.3093	0.245	3	111.3093	0.060	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	112.2170	0.000	1	111.8267	0.126	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.5230	0.000	1	111.8267	0.126	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.7400	0.000	1	111.8267	0.126	3	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.9170	0.207	4	111.9170	0.043	4	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]2C[5,6a])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[5,6a])	111.8840	0.000	1	111.8840	0.000	1	111.6252	0.339	29	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	H(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])	111.9650	0.188	2	111.9650	0.035	2	111.9650	0.035	2	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5,6a])	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,5,6]C[5,5,6]N[5,5,6]C[5,6a])	111.5820	0.000	1	111.5820	0.000	1	111.5820	0.000	1	111.6451	0.314	32	111.6921	0.331	36	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]C[5])	109.1930	0.176	3	109.1930	0.031	3	109.1930	0.031	3	110.5210	3.031	8	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.2235	0.105	2	110.2235	0.011	2	110.5700	0.501	4	110.5210	3.031	8	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	111.6280	0.000	1	111.6280	0.000	1	110.5700	0.501	4	110.5210	3.031	8	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,5]C[5,5a]C[5,5]N[5,6])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|C<4>,5|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5,6])	110.2050	0.000	1	110.2050	0.000	1	110.5700	0.501	4	110.5210	3.031	8	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5])	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	110.5210	3.031	8	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:2:1:	3:4:2:	4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a])	H(C[5,5]C[5,5a]C[5,5]O[5])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,5a]C[5,5]O[5])	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:2:1:	3:4:3:	4:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S)	H(C[5,5]C[5,5a]C[3x5]O[5])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S){3|C<4>,4|C<3>}	H(C[5,5]C[5,5a]C[3x5]O[5])	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.3430	0.001	2	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:2:1:	3:4:3:	4:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5])	H(C[5,5]C[5,5a]C[5,5]O[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5a]C[5,5]O[5])	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	111.3430	0.001	2	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:3:1:	3:4:2:	4:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5]-4:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	H(C[5,5]C[5,5a]C[5,5]N[5])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,5a]C[5,5]N[5])	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5a]C[5,5]C[5])	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	112.0485	0.597	2	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	3:4:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	H(C[5,5]C[5,5a]C[5,5]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,5a]C[5,5]C[5])	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	112.0485	0.597	2	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	4:3:2:1:	3:4:3:	4:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H)	H(C[5,5]C[5,5a]C[3x5]O[5])	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,5]C[5,5a]C[3x5]O[5])	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.3110	0.000	1	111.3933	0.006	3	111.3933	0.006	3	111.3933	0.006	3	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.4590	0.000	1	111.3933	0.006	3	111.3933	0.006	3	111.3933	0.006	3	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	H(C[5,5]C[5,5,6]C[5,5a]N[5])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,2|H<1>,5|C<4>}	H(C[5,5]C[5,5,6]C[5,5a]N[5])	111.4100	0.000	1	111.3933	0.006	3	111.3933	0.006	3	111.3933	0.006	3	111.0221	1.728	18	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	108.8920	0.000	1	108.8920	0.000	1	109.8805	1.954	2	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8690	0.000	1	110.8690	0.000	1	109.8805	1.954	2	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	113.9490	2.019	2	114.8993	1.883	6	114.8466	2.781	8	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	115.5973	1.008	3	114.8993	1.883	6	114.8466	2.781	8	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.7060	0.000	1	114.8993	1.883	6	114.8466	2.781	8	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[5,6a]2)	116.9230	0.000	1	114.6885	9.986	2	114.8466	2.781	8	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	112.4540	0.000	1	114.6885	9.986	2	114.8466	2.781	8	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.1525	0.148	2	111.9931	1.296	8	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	112.6067	0.058	6	111.9931	1.296	8	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.8670	0.043	4	109.9679	5.360	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	109.6683	2.630	12	109.9679	5.360	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.1410	0.168	2	110.3558	2.541	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	111.6485	0.084	2	110.3558	2.541	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.2830	0.000	1	110.3558	2.541	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	110.3030	1.720	7	110.3558	2.541	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	109.9273	2.318	4	110.3558	2.541	16	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	109.9842	3.027	6	109.9842	9.160	6	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	112.5592	1.055	18	111.0553	3.372	38	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[5,5]C[5,6a]2C[3x5])	109.7018	1.225	20	111.0553	3.372	38	110.7277	3.974	84	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[4x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[4x5])	110.0085	0.019	2	110.0085	0.000	2	109.9733	0.003	4	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	H(C[5,5]C[5,6a]2C[4x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]2C[4x5])	109.9380	0.048	2	109.9380	0.002	2	109.9733	0.003	4	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,6]2Ru)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,6]2Ru)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]2)	102.1533	10.544	4	102.1533	111.171	4	102.1533	111.171	4	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[5,5]C[5,6a]2C[5,5])	112.0890	0.000	1	112.0890	0.000	1	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]2C[5,5])	109.6490	0.000	1	109.6490	0.000	1	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]2C[5,5])	113.2680	0.000	1	113.2680	0.000	1	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]2C[5,5])	112.5460	0.000	1	112.5460	0.000	1	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.5230	0.000	1	112.5230	0.000	1	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]2C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	H(C[5,5]C[5,6a]2C[5,5])	112.7825	0.045	2	112.7825	0.002	2	112.2343	1.426	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	112.1055	0.606	2	111.8583	0.367	3	111.8583	0.367	3	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.3640	0.000	1	111.8583	0.367	3	111.8583	0.367	3	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.3920	0.000	1	110.3920	0.000	1	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.3020	0.000	1	110.3020	0.000	1	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.4860	0.000	1	110.4860	0.000	1	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	111.0530	0.000	1	111.0530	0.000	1	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.5635	0.012	2	110.5635	0.000	2	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.3950	0.000	1	110.3950	0.000	1	110.5364	0.061	7	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	110.7260	0.000	1	110.7260	0.000	1	110.9430	0.094	2	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5,6])	111.1600	0.000	1	111.1600	0.000	1	110.9430	0.094	2	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.7800	0.187	2	111.0325	0.136	4	111.1492	0.170	5	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5290	0.000	1	111.0325	0.136	4	111.1492	0.170	5	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.0410	0.000	1	111.0325	0.136	4	111.1492	0.170	5	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6160	0.000	1	111.6160	0.000	1	111.1492	0.170	5	110.7998	9.192	126	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[3x5]O[5])	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.6410	0.039	2	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C)	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[5,5,6,6]C[5,6a]O[5])	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.6410	0.039	2	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	112.7845	0.276	2	112.7845	0.076	2	112.7845	0.076	2	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.1850	0.000	1	112.1850	0.000	1	111.3146	0.509	7	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.8245	0.489	4	110.8245	0.239	4	111.3146	0.509	7	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.8595	0.155	2	111.8595	0.024	2	111.3146	0.509	7	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.1240	0.000	1	111.5896	0.933	7	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.3990	0.494	3	111.5896	0.933	7	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	113.3430	0.000	1	111.5896	0.933	7	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.0210	0.000	1	111.5896	0.933	7	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	110.4420	0.000	1	111.5896	0.933	7	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8350	0.000	1	111.8350	0.000	1	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.2727	0.331	3	111.9517	0.248	13	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8554	0.512	10	111.9517	0.248	13	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8495	0.317	2	111.8495	0.101	2	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.7105	0.363	2	111.7105	0.132	2	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	117.0210	1.143	2	117.0210	1.306	2	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	112.5280	0.000	1	112.5280	0.000	1	112.2151	2.258	28	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]O[5])	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[5,5]C[5,6a]C[5,5]O[5])	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br)	H(C[5,5]C[5,6a]C[5,5]S[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br){3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]S[5])	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]O[5])	110.3700	0.000	2	110.3700	0.000	2	110.3700	0.000	2	111.9183	2.056	41	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	H(C[5,5]C[3,5,5]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]C[5])	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.4130	0.000	1	111.4130	0.000	1	111.5095	0.019	2	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.6060	0.000	1	111.6060	0.000	1	111.5095	0.019	2	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[3x5]N[5])	111.5120	0.000	1	111.5120	0.000	1	111.5120	0.000	1	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[4x5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	H(C[5,5]C[5,6a]C[4x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[4x5]C[5])	110.8750	0.021	2	110.8750	0.000	2	110.8750	0.000	2	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1560	0.000	1	112.1560	0.000	1	112.1560	0.000	1	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5])	H(C[5,5]C[5,6a]C[5,5]N[5,5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5,5])	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	107.1885	0.076	2	106.2282	1.607	16	106.2282	1.607	16	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	105.3940	0.427	4	106.2282	1.607	16	106.2282	1.607	16	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	105.3897	0.851	6	106.2282	1.607	16	106.2282	1.607	16	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	107.8400	0.480	4	106.2282	1.607	16	106.2282	1.607	16	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	114.3270	0.000	1	112.9787	1.371	3	112.3088	2.709	4	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	112.3045	0.125	2	112.9787	1.371	3	112.3088	2.709	4	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]N[5])	110.2990	0.000	1	110.2990	0.000	1	112.3088	2.709	4	108.7254	10.518	28	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:B[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]B[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]2O[5])(C[5,5]C[5]2)(H){1|Li<3>,1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]B[5])	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]C[5,6])	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4770	0.000	1	111.4770	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9310	0.445	2	110.9310	0.198	2	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.8990	0.000	1	111.8990	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1390	0.000	1	111.1390	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.4420	0.000	1	111.8055	0.810	2	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1690	0.000	1	111.8055	0.810	2	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.3500	0.091	2	111.3500	0.008	2	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.2560	0.047	2	110.2560	0.002	2	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7510	0.000	1	110.7510	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.6860	0.000	1	110.6860	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8740	0.000	1	110.8740	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1190	0.000	1	112.1190	0.000	1	111.1753	0.407	15	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.5535	0.231	2	111.5535	0.053	2	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9310	0.000	1	110.9310	0.000	1	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6900	0.000	1	111.6900	0.000	1	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9020	0.325	4	111.9020	0.106	4	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9320	0.000	1	110.9320	0.000	1	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.2655	0.216	2	111.2655	0.047	2	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.9230	0.000	1	110.9230	0.000	1	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9990	0.000	1	111.4750	0.646	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.2130	0.938	2	111.4750	0.646	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.2140	0.000	1	111.6267	0.266	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3330	0.124	2	111.6267	0.266	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.5460	0.000	1	111.6350	2.204	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.1795	1.778	2	111.6350	2.204	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.9855	0.495	4	112.0622	0.209	6	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.8680	0.000	1	112.0622	0.209	6	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.5630	0.000	1	112.0622	0.209	6	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6110	0.610	2	111.8750	0.395	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<8>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.4030	0.000	1	111.8750	0.395	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	112.9700	0.000	1	112.2340	0.458	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.8660	0.321	2	112.2340	0.458	3	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.3325	0.206	2	111.3325	0.042	2	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	110.3640	0.000	1	110.3640	0.000	1	111.6573	0.449	36	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	109.9220	0.237	4	109.9220	0.056	4	109.9220	0.056	4	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5,5]C[5,6a]N[5,5]C[5])	109.0990	0.000	1	109.0990	0.000	1	109.5670	0.438	2	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]N[5,5]C[5])	110.0350	0.000	1	110.0350	0.000	1	109.5670	0.438	2	111.4252	0.947	60	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	109.9710	0.000	1	109.9710	0.000	1	110.1815	0.089	2	110.9442	0.706	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	110.3920	0.000	1	110.3920	0.000	1	110.1815	0.089	2	110.9442	0.706	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H){2|H<1>,9|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	110.9442	0.706	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.9442	0.706	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	110.9442	0.706	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1540	0.464	6	112.1540	0.215	6	112.0784	0.219	7	112.0784	0.219	7	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6250	0.000	1	111.6250	0.000	1	112.0784	0.219	7	112.0784	0.219	7	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	113.3000	0.000	1	113.3000	0.000	1	111.5133	2.567	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	110.2040	0.000	1	110.2040	0.000	1	111.5133	2.567	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,5]C[5,5,6]C[5,6a]C[5])	111.0360	0.000	1	111.0360	0.000	1	111.5133	2.567	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.2410	0.000	1	111.2410	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7165	0.255	4	110.8924	0.229	9	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0332	0.594	5	110.8924	0.229	9	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7730	0.000	1	110.7730	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	107.2570	0.000	1	109.3455	8.724	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4340	0.000	1	109.3455	8.724	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0000	0.000	1	111.0000	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0987	0.395	6	111.0987	0.156	6	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.8900	0.000	2	110.8900	0.000	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9260	0.000	1	110.9260	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.1020	0.000	1	110.1020	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.2120	0.000	1	110.2120	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1855	0.301	2	111.1855	0.090	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.6410	0.000	1	111.6410	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4500	0.000	1	111.4500	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.0960	0.000	1	111.0960	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0640	0.000	1	112.0640	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.8530	0.000	1	111.8530	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4650	0.024	2	111.4650	0.001	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.2580	0.243	2	112.0073	0.218	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5060	0.000	1	112.0073	0.218	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.1160	0.000	1	111.1160	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.3090	0.000	1	112.3090	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	109.5820	0.000	1	109.5820	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0860	0.000	1	110.9360	0.553	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.3610	0.151	2	110.9360	0.553	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.9770	0.321	3	110.9770	0.103	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9327	0.208	4	111.8419	0.055	9	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.7692	0.252	5	111.8419	0.055	9	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.0140	0.000	1	112.0140	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.4720	0.000	1	111.5020	0.002	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5320	0.000	1	111.5020	0.002	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.5100	2.889	2	111.5100	8.348	2	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	111.9390	0.141	2	111.9997	0.021	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1210	0.000	1	111.9997	0.021	3	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.1060	0.000	1	112.1060	0.000	1	111.2538	0.754	64	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	109.3010	0.000	1	109.3010	0.000	1	110.1150	1.325	2	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	110.9290	0.000	1	110.9290	0.000	1	110.1150	1.325	2	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0040	0.000	1	110.0040	0.000	1	110.1453	0.038	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.3670	0.000	1	110.3670	0.000	1	110.1453	0.038	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0650	0.000	1	110.0650	0.000	1	110.1453	0.038	3	111.1868	0.848	72	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[3x5]O[5])	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,6a]N[3x5]O[5])	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	111.1733	0.585	3	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	N[3x5]-4:C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]N[3x5]S[5])	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H){2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[5,6a]N[3x5]S[5])	111.6145	0.037	2	111.6145	0.001	2	111.6145	0.001	2	111.1733	0.585	3	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	H(C[5,5]C[5,5,6]C[5,6a]O[5])	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	H(C[5,5]C[5,5,6]C[5,6a]O[5])	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[3x5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.5090	0.019	2	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[3x5]N[5])	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.5090	0.019	2	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.8320	0.000	1	114.8090	0.001	2	114.8090	0.001	2	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.7860	0.000	1	114.8090	0.001	2	114.8090	0.001	2	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[3x5,6]C[5,6a]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5,5]C[3x5,6]C[5,6a]2)	112.3110	0.881	2	112.3110	0.776	2	112.2985	0.478	4	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	H(C[5,5]C[3x5,6]C[5,6a]2)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,5]C[3x5,6]C[5,6a]2)	112.2860	0.810	2	112.2860	0.657	2	112.2985	0.478	4	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[5,5]C[4,5,5]C[5,6a]C[5])	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,5]C[4,5,5]C[5,6a]C[5])	112.8170	0.000	1	112.8170	0.000	1	112.8170	0.000	1	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	114.1110	0.000	1	114.1110	0.000	1	114.1110	0.000	1	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]N[5])	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	112.7293	2.168	11	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5])	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,5]C[5,6a]C[3x5]C[5])	111.2965	0.170	2	111.2965	0.029	2	111.2965	0.029	2	110.4064	0.766	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]2)	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5,5]C[5,6a]C[5,5]2)	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	110.4064	0.766	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.0575	0.192	2	110.0575	0.037	2	110.0575	0.037	2	110.4064	0.766	5	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[3x5]C[5,5])	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[5,6a]C[3x5]C[5,5])	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.9440	0.000	1	112.6787	0.053	3	112.7611	0.055	8	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.5460	0.000	2	112.6787	0.053	3	112.7611	0.055	8	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5]C[5,5,6,6]C[5,6a]C[5])	112.8106	0.248	5	112.8106	0.062	5	112.7611	0.055	8	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5])	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	112.4395	0.177	2	112.4395	0.032	2	110.8430	3.258	5	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	108.9125	0.064	2	108.9125	0.004	2	110.8430	3.258	5	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,5]C[5,6a]C[5,5]C[5,6])	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,5]C[5,6a]C[5,5]C[5,6])	111.5110	0.000	1	111.5110	0.000	1	110.8430	3.258	5	111.8406	2.000	15	111.0709	5.135	380	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	H(C[5,5]C[3,5,5]C[3x5]C[5a])	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,5]C[3,5,5]C[3x5]C[5a])	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,2|C<4>,6|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	112.3070	0.098	2	112.3070	0.010	2	112.3070	0.010	2	112.3070	0.010	2	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.4420	0.000	1	108.4420	0.000	1	107.9668	0.253	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.2745	0.026	2	108.2745	0.001	2	107.9668	0.253	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.4270	0.000	1	107.4270	0.000	1	107.9668	0.253	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.4160	0.000	1	107.4160	0.000	1	107.9668	0.253	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	109.4975	4.127	2	109.4975	17.035	2	108.5016	5.086	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.8377	0.042	3	107.8377	0.002	3	108.5016	5.086	5	108.2342	2.452	10	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.1365	0.118	2	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,8|C<3>}	H(C[5,6,6]C[5,6,6a]2C[5,6,6])	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	108.1365	0.118	2	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H)	H(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H){1|P<4>,2|C<4>,6|C<3>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]2)	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6])	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6]C[6,6])	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:3:4:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H){1|C<4>,1|N<3>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,8|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.7850	0.000	1	104.7850	0.000	1	104.7900	0.000	2	106.2023	2.401	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.7950	0.000	1	104.7950	0.000	1	104.7900	0.000	2	106.2023	2.401	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.8535	0.005	2	107.8535	0.000	2	106.9085	2.007	4	106.2023	2.401	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	104.8570	0.000	1	105.9635	2.449	2	106.9085	2.007	4	106.2023	2.401	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.0700	0.000	1	105.9635	2.449	2	106.9085	2.007	4	106.2023	2.401	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.7855	0.035	2	107.7855	0.001	2	107.5842	0.097	5	107.5842	0.097	5	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.6720	0.000	1	107.6720	0.000	1	107.5842	0.097	5	107.5842	0.097	5	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.6360	0.000	1	107.6360	0.000	1	107.5842	0.097	5	107.5842	0.097	5	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)	107.0420	0.000	1	107.0420	0.000	1	107.5842	0.097	5	107.5842	0.097	5	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	108.7710	0.076	2	109.4317	0.337	6	109.4317	0.337	6	109.4317	0.337	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	110.0430	0.034	2	109.4317	0.337	6	109.4317	0.337	6	109.4317	0.337	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])	109.4810	0.235	2	109.4317	0.337	6	109.4317	0.337	6	109.4317	0.337	6	108.0274	3.950	34	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	109.3560	6.151	6	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])	112.2950	1.123	2	112.2950	1.261	2	112.2950	1.261	2	109.4766	7.580	5	109.3560	6.151	6	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>,9|C<3>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	H(C[5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	109.4766	7.580	5	109.3560	6.151	6	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5,6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6,6]C[5,6,6]2C[5,6a])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,7|H<1>,8|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]2C[5,6a])	106.9420	0.000	2	106.9420	0.000	2	106.9420	0.000	2	109.4766	7.580	5	109.3560	6.151	6	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6,6]-4:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,6,6]C[5a,6]N[5,6])	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	109.4213	0.291	3	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5a,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	109.1165	0.025	2	109.4213	0.291	3	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[5a,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[5a,6])	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.1165	0.025	2	109.4213	0.291	3	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5])	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5]){1|C<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5a]C[5,6]C[6])	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5a]C[6,6a]C[5,6])	110.5110	0.150	2	110.5110	0.022	2	110.5110	0.022	2	110.5110	0.022	2	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:4:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl)	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5a]C[5,6]N[6])	111.4357	2.418	3	111.4357	5.845	3	111.4357	5.845	3	111.4357	5.845	3	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:4:3:1:	4:3:2:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5a]-3:S[5a]-2:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	C[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a])	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,5a]C[5,6]N[6])	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:4:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	109.3530	0.000	1	109.3530	0.000	1	110.3460	1.972	2	110.3460	1.972	2	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	3:4:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.3390	0.000	1	111.3390	0.000	1	110.3460	1.972	2	110.3460	1.972	2	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8410	0.000	1	109.8410	0.000	1	109.6667	0.078	3	109.6667	0.078	3	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.3440	0.000	1	109.3440	0.000	1	109.6667	0.078	3	109.6667	0.078	3	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	H(C[5,6]C[5,5,6]C[5,5a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,5a]C[6])	109.8150	0.000	1	109.8150	0.000	1	109.6667	0.078	3	109.6667	0.078	3	110.4152	1.959	13	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H)	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H){1|C<4>,7|C<3>}	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	H(C[5,6]C[5,6,6a]C[6]O[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6,6a]C[6]O[5])	108.4560	0.000	1	108.4560	0.000	1	108.6005	0.042	2	108.6005	0.042	2	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H)	H(C[5,6]C[5,6,6a]C[6]O[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6a]C[6]O[5])	108.7450	0.000	1	108.7450	0.000	1	108.6005	0.042	2	108.6005	0.042	2	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6,6a]-3:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[5,6]C[5,6,6a]C[5]C[6])	106.5150	0.668	2	106.5150	0.446	2	106.5150	0.446	2	106.5150	0.446	2	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	H(C[5,6]C[5,6,6a]C[5,6]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6a]C[5,6]C[5])	108.3545	0.363	2	108.3545	0.132	2	108.3545	0.132	2	108.3545	0.132	2	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.7060	0.000	1	108.7060	0.000	1	108.4098	1.165	4	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	109.4470	0.000	1	109.4470	0.000	1	108.4098	1.165	4	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,6|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.5920	0.000	1	108.5920	0.000	1	108.4098	1.165	4	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	106.8940	0.000	1	106.8940	0.000	1	108.4098	1.165	4	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	H(C[5,6]C[5,6,6a]C[5]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6]C[5,6,6a]C[5]C[6])	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.5860	0.865	6	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	H(C[5,6]C[5,6,6a]C[3x6]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6]C[5,6,6a]C[3x6]C[5])	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.2059	0.966	14	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:2:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O)	H(C[5,6]C[5,6a]O[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[6]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]O[5,6]O[6])	111.1980	0.040	2	111.1980	0.002	2	111.1980	0.002	2	111.1980	0.002	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.0800	0.000	1	112.0800	0.000	1	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]BrH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.2565	0.206	2	112.2565	0.042	2	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.5360	0.000	1	111.4470	0.016	2	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.3580	0.000	1	111.4470	0.016	2	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.8610	0.000	1	112.0908	0.039	5	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:2:4:1:	3:4:3:	4:	C[5,6a]-3:O[5,6]-2:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]O[5,6]C[6])	112.1483	0.173	4	112.0908	0.039	5	111.9941	0.112	10	111.9941	0.112	10	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[5,6a,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H)	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H){1|C<4>,6|C<3>}	H(C[5,6]C[5,6,6a]C[5,6a]O[6])	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|Ni<4>,1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	108.4320	0.305	2	108.9417	0.826	3	108.9417	0.826	3	111.1857	6.395	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	109.9610	0.000	1	108.9417	0.826	3	108.9417	0.826	3	111.1857	6.395	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[6,6]O[5,6])	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	111.1857	6.395	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[6,6a]O[5,6])	113.5645	0.057	2	113.5645	0.003	2	113.5645	0.003	2	111.1857	6.395	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	110.4245	0.006	2	110.4245	0.000	2	110.4245	0.000	2	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	110.2730	0.000	1	110.2730	0.000	1	109.5244	0.489	7	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	109.9340	0.000	1	109.9490	0.211	3	109.5244	0.489	7	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	109.9565	0.650	2	109.9490	0.211	3	109.5244	0.489	7	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.9185	0.135	2	108.8503	0.023	3	109.5244	0.489	7	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]N[5,6])	108.7140	0.000	1	108.8503	0.023	3	109.5244	0.489	7	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.4090	0.000	1	110.4090	0.000	1	110.1067	0.107	3	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.1520	0.000	1	110.1520	0.000	1	110.1067	0.107	3	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	109.7590	0.000	1	109.7590	0.000	1	110.1067	0.107	3	109.6718	0.680	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.9895	1.017	4	108.9895	1.035	4	109.0083	0.642	6	109.6741	3.638	7	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8240	0.000	1	108.8240	0.000	1	109.0083	0.642	6	109.6741	3.638	7	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.2680	0.000	1	109.2680	0.000	1	109.0083	0.642	6	109.6741	3.638	7	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a])	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	109.6741	3.638	7	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6,6]C[6]3)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.7490	0.000	1	108.7490	0.000	1	108.8557	0.104	3	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.2180	0.000	1	109.2180	0.000	1	108.8557	0.104	3	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6000	0.000	1	108.6000	0.000	1	108.8557	0.104	3	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.8035	0.565	2	109.8035	0.319	2	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.9330	0.000	1	109.0485	1.565	2	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.1640	0.000	1	109.0485	1.565	2	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	109.7400	0.000	2	109.7400	0.000	2	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.9170	0.000	2	108.6750	0.176	3	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.1910	0.000	1	108.6750	0.176	3	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	111.1560	0.000	1	111.1560	0.000	1	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	108.0590	0.000	2	108.0590	0.000	2	109.2069	0.986	12	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.7558	0.585	5	110.7558	0.342	5	109.9046	1.194	9	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8310	0.125	3	108.8405	0.011	4	109.9046	1.194	9	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	108.8690	0.000	1	108.8405	0.011	4	109.9046	1.194	9	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	110.3660	0.000	1	110.3660	0.000	1	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.7110	0.000	1	109.6865	0.163	6	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.2590	0.419	2	109.6865	0.163	6	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	110.0510	0.000	2	109.6865	0.163	6	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.7880	0.000	1	109.6865	0.163	6	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]N[5,6]C[6])	109.9330	0.000	1	109.9330	0.000	1	109.8023	0.176	8	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6,6])	106.4350	0.000	1	106.4350	0.000	1	106.4350	0.000	1	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[5,6]N[5,5a,6]C[5,6a]C[6])	102.9510	0.000	1	102.9510	0.000	1	102.9510	0.000	1	109.4530	3.753	37	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]Br)(O[6]C[6,6a])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	113.0260	5.113	3	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(O[5,6]C[5,6])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	115.6230	0.000	1	115.6230	0.000	1	113.5580	8.528	2	113.0260	5.113	3	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:O[5,6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]O[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]O[5,6]C[6])	111.4930	0.000	1	111.4930	0.000	1	113.5580	8.528	2	113.0260	5.113	3	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	111.2970	0.051	2	111.2843	0.002	3	111.2843	0.002	3	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	111.2590	0.000	1	111.2843	0.002	3	111.2843	0.002	3	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	108.3810	0.000	1	108.1055	0.152	2	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	107.8300	0.000	1	108.1055	0.152	2	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	107.4670	0.000	1	110.2395	3.491	4	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	110.9705	0.039	2	110.2395	3.491	4	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	111.5500	0.000	1	110.2395	3.491	4	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[6])	112.1220	0.000	1	112.1220	0.000	1	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]O[6])	115.1680	0.000	1	115.1680	0.000	1	110.5574	6.680	8	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]S[6])	109.2950	0.000	1	109.2950	0.000	1	109.1235	0.059	2	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:2:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]S[6])	108.9520	0.000	1	108.9520	0.000	1	109.1235	0.059	2	110.5045	4.374	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1640	0.099	2	112.1640	0.010	2	112.1640	0.010	2	112.1640	0.010	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5])	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(C[5,6]C[5,6a]C[6,6a]C[5,6])	106.5520	0.653	2	106.5520	0.427	2	106.5520	0.427	2	110.3842	12.461	5	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	113.4470	0.000	1	113.4470	0.000	1	112.9390	0.232	3	110.3842	12.461	5	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.6850	0.276	2	112.6850	0.076	2	112.9390	0.232	3	110.3842	12.461	5	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.8085	4.078	2	110.8085	16.629	2	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1870	0.000	1	109.1870	0.000	1	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.9300	0.000	1	111.9300	0.000	1	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.1945	0.708	4	108.3320	0.471	5	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8820	0.000	1	108.3320	0.471	5	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.1640	0.000	1	108.1225	0.003	2	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.0810	0.000	1	108.1225	0.003	2	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.3070	0.000	1	110.3070	0.000	1	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.9900	0.000	1	107.9900	0.000	1	109.1489	3.324	13	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	110.1193	0.037	3	110.0445	0.023	4	109.5884	1.058	5	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	109.8200	0.000	1	110.0445	0.023	4	109.5884	1.058	5	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[5,6])	107.7640	0.000	1	107.7640	0.000	1	109.5884	1.058	5	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	108.1020	0.000	1	108.1020	0.000	1	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.5770	0.000	1	107.1103	0.515	3	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.4700	0.000	1	107.1103	0.515	3	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	106.2840	0.000	1	107.1103	0.515	3	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.3240	0.000	1	107.3240	0.000	1	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8400	0.000	1	107.8665	0.001	2	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8930	0.000	1	107.8665	0.001	2	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	110.4120	0.000	1	110.4120	0.000	1	107.8628	1.368	8	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.4055	0.220	2	107.4055	0.048	2	107.4055	0.048	2	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[6,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[6,6]N[5,6])	109.9940	0.000	2	109.9940	0.000	2	109.9940	0.000	2	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a]2C[6])(C[5,6]C[6]O[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	108.7528	2.543	31	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.3290	0.720	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H){3|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	113.3290	0.720	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]2)	110.4800	0.000	1	110.4800	0.000	1	109.5087	0.722	3	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]2)	109.0230	0.167	2	109.0230	0.028	2	109.5087	0.722	3	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.5270	0.000	1	109.5270	0.000	1	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,7|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	114.1900	0.000	1	114.1900	0.000	1	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.3450	0.000	1	112.3450	0.000	1	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|F<1>,1|N<3>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1030	0.000	1	112.1030	0.000	1	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.6955	0.227	2	111.8447	0.093	3	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1430	0.000	1	111.8447	0.093	3	111.9570	1.881	7	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.4315	0.308	2	110.4315	0.095	2	110.6147	0.148	3	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5]){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.9810	0.000	1	110.9810	0.000	1	110.6147	0.148	3	111.0822	2.205	13	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.4417	0.295	3	109.4417	0.087	3	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6700	0.000	1	109.6700	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.4890	0.308	2	105.7140	0.199	3	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.1640	0.000	1	105.7140	0.199	3	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.4770	0.000	1	108.4770	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7440	0.000	1	108.1985	0.413	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6530	0.000	1	108.1985	0.413	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.8495	1.379	4	106.8495	1.902	4	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.4550	0.000	1	111.4550	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.7560	0.000	1	109.7560	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.4810	0.000	1	111.4810	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9120	0.000	1	109.9120	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.4190	0.000	1	107.4190	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.6300	0.000	1	110.6300	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.6790	0.000	1	107.6790	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.4530	0.000	1	108.4530	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.4390	0.307	2	111.4390	0.094	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.3087	0.547	3	111.0125	11.811	4	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	116.1240	0.000	1	111.0125	11.811	4	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.9090	0.000	1	109.9090	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	105.3980	0.000	2	105.3980	0.000	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8200	2.025	3	108.5575	3.010	4	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7700	0.000	1	108.5575	3.010	4	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.8455	0.210	2	107.7473	0.051	3	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.5510	0.000	1	107.7473	0.051	3	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.6740	0.000	1	107.6860	1.952	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	106.6980	0.000	1	107.6860	1.952	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.1830	1.638	2	110.1830	2.682	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.9000	0.000	1	110.9000	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.3190	0.222	2	111.3190	0.049	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.7220	0.000	1	111.7220	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	113.9700	0.000	1	113.9700	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.4550	0.000	1	110.4550	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.2260	0.000	1	108.2260	0.000	1	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.6555	0.264	2	109.6555	0.070	2	109.0639	4.937	51	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	109.0620	4.840	52	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H)	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[5,6a]O[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]O[6])	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	110.4395	7.617	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]O[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]O[5,6])	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	110.4395	7.617	2	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]2)	110.7955	0.525	2	110.7955	0.276	2	110.4647	0.466	3	110.1352	0.745	4	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]2)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]2)	109.8030	0.000	1	109.8030	0.000	1	110.4647	0.466	3	110.1352	0.745	4	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	110.1352	0.745	4	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[3,5,6]C[5,6a]N[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[3,5,6]C[5,6a]N[6])	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.7200	0.086	2	112.7200	0.007	2	112.6600	0.739	6	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	112.9655	0.013	2	112.9655	0.000	2	112.6600	0.739	6	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	113.5650	0.000	1	113.5650	0.000	1	112.6600	0.739	6	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6,6a])	111.0240	0.000	1	111.0240	0.000	1	112.6600	0.739	6	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.8800	0.000	1	111.8800	0.000	1	109.6810	3.639	3	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.5815	0.159	2	108.5815	0.025	2	109.6810	3.639	3	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[5,6])	104.9440	0.000	2	104.9440	0.000	2	104.9440	0.000	2	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[6,6a])	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.5430	0.000	2	107.5430	0.000	2	108.1035	2.092	4	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.0800	0.000	1	107.0800	0.000	1	108.1035	2.092	4	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	110.2480	0.000	1	110.2480	0.000	1	108.1035	2.092	4	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,6,6]C[5,6a]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6a]N[6])	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	109.8109	8.003	19	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7370	0.000	1	112.7370	0.000	1	112.7680	0.005	5	112.2375	1.692	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.8460	0.000	1	112.8460	0.000	1	112.7680	0.005	5	112.2375	1.692	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	112.7523	0.072	3	112.7523	0.005	3	112.7680	0.005	5	112.2375	1.692	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	112.2375	1.692	6	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[3x5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H)	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	H(C[5,6]C[3x5,6]C[5,6a]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3x5,6]C[5,6a]C[6])	109.7535	1.346	2	109.7535	1.811	2	109.7535	1.811	2	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.7340	0.000	1	107.7020	8.258	2	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	105.6700	0.000	1	107.7020	8.258	2	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	109.1107	0.348	3	109.1107	0.121	3	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.4540	0.000	1	111.4540	0.000	1	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,8|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	105.9490	0.000	1	105.9490	0.000	1	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	110.9620	0.000	1	110.9620	0.000	1	108.8876	4.427	8	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.7995	0.077	2	107.7995	0.006	2	108.0823	0.126	4	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.3650	0.228	2	108.3650	0.052	2	108.0823	0.126	4	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5,6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	108.6371	2.667	16	109.7910	4.745	244	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:2:1:	3:4:3:	4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]O[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,6]C[5a,6]O[5,6]O[5])	111.7500	0.000	1	111.6070	0.031	4	111.6070	0.031	4	111.6070	0.031	4	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:2:1:	3:4:3:	4:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]O[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]O[5,6]O[5])	111.5593	0.182	3	111.6070	0.031	4	111.6070	0.031	4	111.6070	0.031	4	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:4:1:	3:4:3:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O)	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5a,6]O[5,6]C[5])	113.0160	0.000	1	113.0160	0.000	1	112.9193	0.013	3	112.9193	0.013	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:4:1:	3:4:3:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5a,6]O[5,6]C[5])	112.7910	0.000	1	112.8710	0.013	2	112.9193	0.013	3	112.9193	0.013	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:4:1:	3:4:3:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5a,6]O[5,6]C[5])	112.9510	0.000	1	112.8710	0.013	2	112.9193	0.013	3	112.9193	0.013	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:2:4:1:	4:3:3:	4:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]O[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5a,6]O[5,6]C[5])	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]N[5,6]N[5])	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5a,6]N[5,6])	110.3725	0.035	2	110.3725	0.001	2	110.3725	0.001	2	110.5483	0.093	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]N[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5a,6]N[5,6]N[5])	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.5483	0.093	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.4436	0.058	16	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.1673	0.253	3	109.1673	0.064	3	109.4266	0.064	14	109.4436	0.058	16	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.4974	0.212	11	109.4974	0.045	11	109.4266	0.064	14	109.4436	0.058	16	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	H(C[5,6]C[5a,6]N[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5a,6]N[5,6]C[5])	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.4436	0.058	16	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:2:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:2:1:	4:3:2:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(N[5a]O[5a])	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:2:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]O[5,6])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]O[5,6])	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	110.2657	1.052	4	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:2:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]O[5])	109.8200	0.000	2	109.8200	0.000	2	109.8200	0.000	2	110.2657	1.052	4	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:2:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C)	H(C[5,6]C[5a,6]C[5,6]O[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]O[5])	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	110.2657	1.052	4	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	114.0590	0.000	1	114.0590	0.000	1	110.3755	27.136	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	106.6920	0.000	1	106.6920	0.000	1	110.3755	27.136	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	109.0780	0.000	1	108.9900	0.015	2	108.9900	0.015	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	108.9020	0.000	1	108.9900	0.015	2	108.9900	0.015	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	114.8310	0.000	1	114.8310	0.000	1	112.9825	6.834	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.1340	0.000	1	111.1340	0.000	1	112.9825	6.834	2	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6])	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6]){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5])	112.6680	0.000	1	112.6680	0.000	1	112.6680	0.000	1	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	110.8319	7.201	10	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:2:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.0730	0.813	2	111.0730	0.661	2	111.0730	0.661	2	111.1423	0.345	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:2:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:S[5a]-2:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	111.1423	0.345	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.6280	0.000	1	110.1082	3.231	4	110.1082	3.231	4	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.7700	1.153	2	110.1082	3.231	4	110.1082	3.231	4	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.2650	0.000	1	110.1082	3.231	4	110.1082	3.231	4	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	108.3270	0.000	1	108.3270	0.000	1	109.3880	0.880	3	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]C[5,6]N[5,6])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]N[5,6])	109.9185	0.268	2	109.9185	0.072	2	109.3880	0.880	3	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.4128	2.393	9	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H){4|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:2:	4:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	H(C[5,6]C[5a,6]C[5,5]C[5,6])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5a,6]C[5,5]C[5,6])	111.3040	0.185	2	111.3040	0.034	2	111.3040	0.034	2	111.3040	0.034	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.3840	0.000	1	112.3840	0.000	1	110.4240	3.594	3	111.1812	2.876	5	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	108.6000	0.000	1	109.4440	1.425	2	110.4240	3.594	3	111.1812	2.876	5	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.2880	0.000	1	109.4440	1.425	2	110.4240	3.594	3	111.1812	2.876	5	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.4070	0.000	1	112.4070	0.000	1	112.3170	0.016	2	111.1812	2.876	5	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	112.2270	0.000	1	112.2270	0.000	1	112.3170	0.016	2	111.1812	2.876	5	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:2:1:	4:3:2:	4:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a])	H(C[5,6]C[5,6,6]C[5a,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a]){4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5a,6]O[5])	110.0010	0.205	3	110.0010	0.042	3	110.0010	0.042	3	110.0010	0.042	3	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,5]O[5,6])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5a,6]C[5,5]O[5,6])	111.5805	0.384	2	111.5805	0.147	2	111.5805	0.147	2	111.5805	0.147	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.8670	0.000	1	109.8670	0.000	1	109.7015	0.055	2	109.7015	0.055	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5a,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	H(C[5,6]C[5a,6]C[5,6]N[5])	109.5360	0.000	1	109.5360	0.000	1	109.7015	0.055	2	109.7015	0.055	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[3x5,6]C[5a,6]N[5,6])	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	108.9445	0.846	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5a,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5,6,6]C[5a,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5a,6]C[5])	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.9445	0.846	2	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:4:1:	3:3:4:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	H(C[5,6]C[5a,6]C[5,6]C[5])	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[5,6]C[5a,6]C[5,6]C[5])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,5|H<1>}	H(C[5,6]C[5a,6]C[5,6]C[5])	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.3240	2.466	76	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a]	H	4:4:3:1:	4:2:2:	4:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[5,6]-4:N[5a]-2:S[5a]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H)	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.2755	1.523	2	108.3183	0.525	4	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a]	H	4:4:3:1:	4:2:2:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:N[5a]-2:O[5a]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	108.2755	1.523	2	108.3183	0.525	4	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.5110	0.000	1	108.3610	0.045	2	108.3610	0.045	2	108.3610	0.045	2	108.3183	0.525	4	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5,6]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[5,6]C[5,5,6]C[5,6]C[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[5a])	108.2110	0.000	1	108.3610	0.045	2	108.3610	0.045	2	108.3610	0.045	2	108.3183	0.525	4	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:2:4:	4:	C[5,5a]-3:S[5]-2:H-1:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH){1|H<1>,3|C<3>}	H(C[5]C[5,5a]S[5]H)	110.6127	0.688	16	110.6127	0.474	16	110.6127	0.474	16	110.6127	0.474	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5a]O[5]H)	111.0510	0.033	2	111.0510	0.001	2	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	110.9200	0.023	2	110.9200	0.001	2	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	110.8775	0.019	2	110.8775	0.000	2	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]O[5]HH){1|C<3>,1|O<1>}	H(C[5]C[5,5a]O[5]H)	110.9660	0.014	3	110.9660	0.000	3	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]O[5]HH){2|C<4>,2|H<1>}	H(C[5]C[5,5a]O[5]H)	111.2720	0.014	2	111.2720	0.000	2	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[5]C[5,5a]O[5]H)	111.0190	0.052	2	111.0190	0.003	2	111.0136	0.017	13	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:H-1:H-1:	N[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH)	H(C[5]C[5,5a]O[5]H)	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[5]C[5,5a]O[5]H)	111.5225	0.015	2	111.5225	0.000	2	111.5225	0.000	2	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:S[5]-2:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,5a]S[5]H)	110.5915	0.012	2	110.5915	0.000	2	110.5915	0.000	2	111.0238	0.067	17	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	H(C[5]C[5,5a]C[5,6]H)	111.8725	0.023	2	111.8725	0.001	2	111.8725	0.001	2	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.4440	0.011	2	111.4440	0.000	2	111.4440	0.000	2	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.4880	0.000	1	111.4880	0.000	1	111.4428	0.003	9	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[5]C[5,5a]C[5]H)	111.5540	0.000	1	111.4371	0.004	8	111.4428	0.003	9	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.4204	0.041	7	111.4371	0.004	8	111.4428	0.003	9	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){1|H<1>,6|C<3>}	H(C[5]C[5,5a]C[5]H)	111.1312	0.062	8	111.1312	0.004	8	111.1312	0.004	8	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,5a]N[5]H)	111.5010	0.025	2	111.5010	0.001	2	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	111.6784	0.031	5	111.6784	0.001	5	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	111.5410	0.013	2	111.5410	0.000	2	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH){1|O<1>,1|O<2>,4|C<3>}	H(C[5]C[5,5a]N[5]H)	111.3545	0.019	2	111.3545	0.000	2	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	112.5730	0.547	2	112.5730	0.300	2	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]H)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,5a]N[5]H)	111.4700	0.007	2	111.4700	0.000	2	111.6847	0.164	15	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	111.8850	0.024	2	111.8850	0.001	2	111.9936	0.005	8	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,5a]N[5]H)	112.0298	0.022	6	112.0298	0.000	6	111.9936	0.005	8	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	111.4165	0.016	2	111.4165	0.000	2	111.4165	0.000	2	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH){2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.4195	0.020	4	111.4195	0.000	4	111.4195	0.000	4	111.5680	0.124	50	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:2:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a]){1|N<3>,2|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.5775	0.029	2	111.5775	0.001	2	111.5775	0.001	2	111.8855	0.318	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:2:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	111.6835	0.019	2	111.6835	0.000	2	112.0395	0.434	4	111.8855	0.318	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:2:	4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,5a]N[5]H)	112.3955	0.892	2	112.3955	0.795	2	112.0395	0.434	4	111.8855	0.318	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])2(H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H)	H(C[5]C[5,5a]2H)	C[5](C[5,5a]C[5,5a]C[5a])2(H)2{2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	H(C[5]C[5,5a]2H)	110.9356	2.129	8	110.9356	4.531	8	110.9356	4.531	8	111.2003	2.190	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C){1|H<1>,2|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.5215	0.026	2	111.5215	0.001	2	111.5215	0.001	2	111.2003	2.190	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]H)	111.4315	0.012	4	111.4315	0.000	4	111.4462	0.001	6	111.2003	2.190	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]H)	111.4755	0.029	2	111.4755	0.001	2	111.4462	0.001	6	111.2003	2.190	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:2:1:	3:4:2:	4:	C[5,5a]-3:C[5,6a]-3:O-2:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a])	H(C[5]C[5,5a]C[5,6a]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a]){1|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]O)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.4574	0.013	5	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:2:1:	3:4:2:	4:	C[5,5a]-3:C[5,6a]-3:S-2:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a])	H(C[5]C[5,5a]C[5,6a]S)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a]){2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]S)	110.4965	0.084	4	110.4965	0.007	4	110.4965	0.007	4	110.4574	0.013	5	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:3:4:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.7900	0.000	2	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:N-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN)	H(C[5]C[5,5a]N[5]N)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,5a]N[5]N)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.7900	0.000	2	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.8635	0.095	2	108.8635	0.009	2	108.9317	0.018	3	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C){5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	109.0680	0.000	1	109.0680	0.000	1	108.9317	0.018	3	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	108.3760	0.000	1	108.3760	0.000	1	109.1190	1.104	2	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	H(C[5]C[5,5a]C[6a]N[5])	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]N[5])	109.8620	0.000	1	109.8620	0.000	1	109.1190	1.104	2	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	108.9091	0.729	8	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	H(C[5]C[5,5a]C[5,6a]C)	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C)	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	H(C[5]C[5,5a]C[5]C)	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5380	0.000	1	108.5380	0.000	1	109.5330	1.940	4	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.7240	0.000	1	109.7240	0.000	1	109.5330	1.940	4	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	111.4300	0.000	1	111.4300	0.000	1	109.5330	1.940	4	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.4400	0.000	1	108.4400	0.000	1	109.5330	1.940	4	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,5a]N[5]C)	110.1770	0.000	1	110.1770	0.000	1	109.7785	0.318	2	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5]C)	109.3800	0.000	1	109.3800	0.000	1	109.7785	0.318	2	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:3:4:	4:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H)	H(C[5]C[5,5a]N[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H){3|H<1>,7|C<3>}	H(C[5]C[5,5a]N[5a]C[5])	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5671	0.663	12	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:2:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<1>}	H(C[5]C[5,5a]N[5]C)	112.6070	0.000	1	112.6070	0.000	1	111.0595	4.790	2	111.0595	4.790	2	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:2:	4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	H(C[5]C[5,5a]N[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,3|H<1>}	H(C[5]C[5,5a]N[5]C)	109.5120	0.000	1	109.5120	0.000	1	111.0595	4.790	2	111.0595	4.790	2	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	106.4430	0.000	1	106.4430	0.000	1	107.9020	4.257	2	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	109.3610	0.000	1	109.3610	0.000	1	107.9020	4.257	2	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.1540	0.000	1	109.1540	0.000	1	109.1660	0.123	3	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){3|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.5220	0.000	1	109.5220	0.000	1	109.1660	0.123	3	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){4|C<3>,4|H<1>}	H(C[5]C[5,5a]C[6a]C[5])	108.8220	0.000	1	108.8220	0.000	1	109.1660	0.123	3	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.5200	0.000	1	108.7453	0.038	7	108.6646	0.084	8	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.6070	0.000	1	108.7453	0.038	7	108.6646	0.084	8	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.8180	0.181	5	108.7453	0.038	7	108.6646	0.084	8	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.1000	0.000	1	108.1000	0.000	1	108.6646	0.084	8	108.6543	0.540	14	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:2:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.3842	0.001	4	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:2:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:S[5a]-2:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.3753	0.030	3	111.3753	0.001	3	111.3753	0.001	3	111.3842	0.001	4	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[3x5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH)	H(C[5]C[5,5a]C[3x5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2{1|C<4>,1|O<2>,1|S<4>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH){2|C<4>,4|C<3>}	H(C[5]C[5,5a]C[3x5]H)	111.6030	0.031	2	111.6030	0.001	2	111.6030	0.001	2	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	111.4087	0.049	4	111.4087	0.002	4	111.4125	0.002	6	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	111.4200	0.037	2	111.4200	0.001	2	111.4125	0.002	6	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	111.1190	0.006	2	111.1190	0.000	2	112.1838	1.522	4	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	H(C[5]C[5,5a]C[5,5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,5]H)	113.2485	0.180	2	113.2485	0.033	2	112.1838	1.522	4	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	111.7440	0.007	4	111.7440	0.000	4	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){1|Si<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5a]C[5,6]H)	111.9335	0.059	4	111.9618	0.004	6	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5a]C[5,6]H)	112.0185	0.008	2	111.9618	0.004	6	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.3050	0.008	2	111.7977	0.029	22	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	111.7670	0.051	2	111.7977	0.029	22	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5a]C[5,6]H)	111.8559	0.054	18	111.7977	0.029	22	111.8218	0.025	32	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.0100	0.047	2	111.0100	0.002	2	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0665	0.066	4	111.0665	0.004	4	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5343	0.036	4	111.5343	0.001	4	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	110.7980	0.130	2	110.7980	0.017	2	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.2790	0.020	2	111.2790	0.000	2	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH){1|C<4>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.4693	0.057	3	111.4693	0.003	3	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1170	0.075	3	111.1170	0.006	3	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|N<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.6340	0.751	6	111.6340	0.564	6	111.3131	0.193	26	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){6|C<3>}	H(C[5]C[5,5a]C[5]H)	111.4195	0.040	2	111.4195	0.002	2	111.4868	0.015	10	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5865	0.042	4	111.5865	0.002	4	111.4868	0.015	10	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5400	0.024	2	111.5400	0.001	2	111.4868	0.015	10	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.3015	0.021	2	111.3015	0.000	2	111.4868	0.015	10	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.0880	0.024	2	111.0880	0.001	2	111.0880	0.001	2	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5660	1.995	2	111.5660	3.982	2	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]H)	111.2580	0.041	2	111.2580	0.002	2	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5080	0.000	1	111.2512	0.030	4	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1657	0.040	3	111.2512	0.030	4	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5050	0.006	2	111.5050	0.000	2	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.0992	0.043	4	111.0992	0.002	4	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0770	0.006	2	111.1208	0.003	4	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1645	0.045	2	111.1208	0.003	4	111.2524	0.269	18	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	111.0360	0.007	2	111.0360	0.000	2	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0550	0.031	2	111.0550	0.001	2	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){1|C<4>,3|H<1>}	H(C[5]C[5,5a]C[5]H)	111.2585	0.028	2	111.2585	0.001	2	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1480	0.116	3	111.0732	0.017	5	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	110.9610	0.030	2	111.0732	0.017	5	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5]H)	111.0730	0.028	4	111.0730	0.001	4	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.0170	0.017	2	111.1082	0.011	4	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1995	0.021	2	111.1082	0.011	4	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	H(C[5]C[5,5a]C[5]H)	110.9590	0.000	1	111.2327	0.030	7	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.2783	0.136	6	111.2327	0.030	7	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	110.8805	0.694	2	110.8805	0.481	2	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.3557	0.143	31	111.3557	0.020	31	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH){1|C<4>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.1400	0.016	2	111.1400	0.000	2	111.2375	0.042	61	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){1|C<4>,4|H<1>}	H(C[5]C[5,5a]N[5]H)	111.6280	0.031	2	111.6280	0.001	2	111.6280	0.001	2	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	H(C[5]C[5,5a]N[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	H(C[5]C[5,5a]N[5]H)	111.8020	0.017	2	111.8020	0.000	2	111.8020	0.000	2	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:S[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(S[5]C[5]OO)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]O[5a])(C[5]S[5]HH)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]C[5,5a]C[5a])(S[5]C[5]OO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]O[5a])(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,5a]S[5]H)	111.4269	0.073	7	111.4269	0.005	7	111.4269	0.005	7	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:3:4:	4:	C[5,5a]-3:S[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH)	H(C[5]C[5,5a]S[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5a]S[5]H)	111.4790	0.042	2	111.4790	0.002	2	111.4790	0.002	2	111.4238	0.165	174	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.4815	0.370	2	111.4815	0.137	2	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|N<3>,5|H<1>}	H(C[5]C[5,5a]C[5]H)	111.5540	0.033	2	110.9870	0.617	10	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	110.6832	0.907	6	110.9870	0.617	10	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.3315	0.029	2	110.9870	0.617	10	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,5a]C[5]H)	111.6900	0.035	2	111.6900	0.001	2	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:1:1:	3:4:2:	4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a])	H(C[5]C[5,5a]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a]){1|O<1>,2|H<1>}	H(C[5]C[5,5a]C[5]H)	111.2560	0.014	2	111.2560	0.000	2	111.1703	0.451	16	111.1703	0.451	16	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:2:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO)	H(C[5]C[5,5a]C[5,6]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]O)	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.4790	0.243	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:2:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:N-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	H(C[5]C[5,5a]C[5]N)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]N)	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.4790	0.243	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:2:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:O-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO)	H(C[5]C[5,5a]C[5]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]O)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	111.4790	0.243	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH){1|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5]C)	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5]C)	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H)	H(C[5]C[5,5a]C[5]C[6])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H){3|H<1>,7|C<3>}	H(C[5]C[5,5a]C[5]C[6])	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){4|H<1>,6|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:N-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN)	H(C[5]C[5,5a]C[5]N)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H){1|C<3>,1|S<2>,3|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN){5|H<1>}	H(C[5]C[5,5a]C[5]N)	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	109.0660	0.760	6	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S)	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,5]C[6a])	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.7210	0.033	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:4:3:	4:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,6|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	109.7210	0.033	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:3:1:	3:4:3:	4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	H(C[5]C[5,5a]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){3|H<1>,5|C<3>}	H(C[5]C[5,5a]C[6a]C[5])	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.7210	0.033	3	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:2:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	H(C[5]C[5,5a]C[5]C)	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5,6]-4:S-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS)	H(C[5]C[5,5a]C[5,6]S)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS){1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5,6]S)	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|S<4>,2|C<4>}	H(C[5]C[5,5a]C[5]C)	111.1510	0.000	1	111.1510	0.000	1	110.4635	0.945	2	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,5a]C[5]C)	109.7760	0.000	1	109.7760	0.000	1	110.4635	0.945	2	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]C)	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[5]C[5,5a]C[5]C)	109.1960	0.000	2	109.1960	0.000	2	109.1960	0.000	2	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]C)	108.8780	0.000	1	108.8780	0.000	1	108.9622	0.764	6	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,5|H<1>}	H(C[5]C[5,5a]C[5]C)	109.9700	0.000	1	109.9700	0.000	1	108.9622	0.764	6	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5]C)	108.3710	0.000	1	108.3710	0.000	1	108.9622	0.764	6	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH){1|C<3>,5|H<1>}	H(C[5]C[5,5a]C[5]C)	108.6385	1.463	2	108.6385	2.140	2	108.9622	0.764	6	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	H(C[5]C[5,5a]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5]C)	109.2770	0.000	1	109.2770	0.000	1	108.9622	0.764	6	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	3:4:4:1:	3:3:4:	4:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	H(C[5]C[5,5a]C[5]Si)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,5a]C[5]Si)	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	109.3992	0.905	13	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a])	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,5a]C[5,6]H)	112.0119	0.058	7	112.0119	0.003	7	112.0119	0.003	7	112.0119	0.003	7	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:1:1:	3:4:3:	4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S)	H(C[5]C[5,5,6,6]C[5,5a]H)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S){2|C<4>,4|C<3>}	H(C[5]C[5,5,6,6]C[5,5a]H)	111.3000	0.063	4	111.3000	0.004	4	111.3000	0.004	4	111.7686	0.373	10	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	111.9500	0.055	2	111.9500	0.003	2	112.0225	0.582	4	111.7686	0.373	10	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6]H)	112.0950	1.312	2	112.0950	1.722	2	112.0225	0.582	4	111.7686	0.373	10	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C)	H(C[5]C[5,5a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C){1|H<1>,4|C<4>}	H(C[5]C[5,5a]C[5,6]H)	112.1980	0.307	2	112.1980	0.094	2	112.1980	0.094	2	111.7686	0.373	10	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,5a]	H	4:3:3:1:	3:4:2:	4:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a])	H(C[5]C[5,5a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a]){1|S<4>,6|C<3>}	H(C[5]C[5,5a]C[5,5]C[6a])	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	111.0248	1.098	386	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:2:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9010	0.007	4	110.9010	0.000	4	110.9010	0.000	4	110.7013	0.046	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:2:4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(S[5]C[5])(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]S[5]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]S[5]H)	110.5015	0.032	4	110.5015	0.001	4	110.5015	0.001	4	110.7013	0.046	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7905	0.018	2	110.7905	0.000	2	110.7905	0.000	2	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]O[5]HH){1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8715	0.124	4	110.8715	0.015	4	110.8715	0.015	4	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,1|P<3>,4|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8597	0.024	3	110.7915	0.011	13	110.8212	0.016	15	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,1|P<4>,4|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6700	0.044	2	110.7915	0.011	13	110.8212	0.016	15	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]O[5]H)	110.7963	0.114	8	110.7915	0.011	13	110.8212	0.016	15	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	111.0145	0.025	2	111.0145	0.001	2	110.8212	0.016	15	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]O[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6085	0.022	6	110.6085	0.000	6	110.6085	0.000	6	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	H(C[5]C[5,6a]O[5]H)	110.5657	0.077	12	110.7231	0.310	15	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	110.6210	0.000	1	110.7231	0.310	15	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	111.7185	1.408	2	110.7231	0.310	15	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9815	0.033	2	111.6995	2.124	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	112.0585	1.739	4	111.6995	2.124	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	110.9230	0.027	2	110.9230	0.001	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	110.7475	0.005	2	110.8884	0.419	17	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8655	0.084	4	110.8884	0.419	17	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8015	0.037	2	110.8884	0.419	17	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6963	0.159	3	110.8884	0.419	17	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	111.0755	1.119	6	110.8884	0.419	17	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8315	0.069	4	110.8096	0.003	7	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7803	0.015	3	110.8096	0.003	7	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6867	0.023	3	110.6019	0.007	7	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.5383	0.034	4	110.6019	0.007	7	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7055	0.008	2	110.7055	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9043	0.072	3	110.9043	0.005	3	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5,6a]O[5]H)	110.9200	0.000	1	110.9200	0.000	1	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(C[5]C[5,6a]O[5]H)	112.3490	1.304	3	112.3490	1.702	3	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.5767	0.043	6	110.5767	0.002	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]O[5]H)	111.0353	0.039	4	111.0353	0.002	4	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	111.8800	2.959	2	111.8800	8.753	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7390	0.018	2	110.7390	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9290	0.060	4	110.9290	0.004	4	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]O[5]HH){1|O<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8270	0.040	2	110.8270	0.002	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	110.7360	0.055	2	110.7360	0.003	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]H)	110.9390	0.048	2	110.8280	0.015	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8665	0.008	2	110.8280	0.015	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6785	0.018	2	110.8280	0.015	6	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9050	0.069	2	110.9050	0.005	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.5960	0.018	2	110.5960	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8330	0.007	2	110.8330	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6540	0.082	2	110.6540	0.007	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.3214	0.328	7	110.3798	0.083	11	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.4820	0.199	4	110.3798	0.083	11	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7890	0.017	2	110.7890	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.7358	0.102	6	110.7886	0.017	8	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9470	0.017	2	110.7886	0.017	8	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6a]O[5]H)	110.9103	0.028	4	110.9103	0.001	4	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]H)	110.7353	0.060	3	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]O[5]H)	110.8795	0.023	2	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	110.7598	0.068	6	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,1|N<3>,2|O<1>}	H(C[5]C[5,6a]O[5]H)	110.8425	0.013	2	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|Br<1>,1|C<3>,1|O<1>}	H(C[5]C[5,6a]O[5]H)	110.7865	0.032	2	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.6267	0.022	3	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8645	0.033	2	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8055	0.070	4	110.7755	0.007	24	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8280	0.000	1	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	112.2885	1.815	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]O[5]H)	110.9390	0.201	4	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6a]O[5]H)	110.8770	0.014	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]H)	110.8858	0.051	4	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.9925	0.241	11	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]H)	110.8280	0.066	3	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8895	0.006	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9160	0.028	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8785	0.035	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|Ir<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Ir<4>,1|C<3>,1|H<1>,1|P<4>}	H(C[5]C[5,6a]O[5]H)	110.9675	0.050	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6657	0.100	3	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6640	0.000	1	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|S<6>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	114.4305	0.869	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]O[5]H)	110.9375	1.000	10	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.7780	0.051	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.5110	0.028	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.6865	0.047	2	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	110.7280	0.021	3	111.0366	0.718	60	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	111.1208	0.119	4	110.9933	0.027	8	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.8030	0.010	2	110.9933	0.027	8	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]O[5]H)	110.9285	0.032	2	110.9933	0.027	8	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]O[5]H)	110.7705	0.011	2	110.7705	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	H(C[5]C[5,6a]O[5]H)	111.0360	0.007	2	111.0360	0.000	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|B<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]H)	109.7413	0.295	3	109.7413	0.087	3	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|N<2>,4|C<4>}	H(C[5]C[5,6a]O[5]H)	109.7610	0.027	2	109.7610	0.001	2	110.8774	0.462	225	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]H)	110.8720	0.013	2	110.8720	0.000	2	109.1388	8.682	4	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	107.4055	3.746	2	107.4055	14.029	2	109.1388	8.682	4	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	113.0182	0.455	4	112.1555	1.920	6	111.6626	1.475	10	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.4300	0.212	2	112.1555	1.920	6	111.6626	1.475	10	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH)	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]HH){1|O<1>,4|C<3>}	H(C[5]C[5,6a]O[5]H)	110.9232	0.100	4	110.9232	0.010	4	111.6626	1.475	10	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	110.4582	0.064	9	110.4582	0.004	9	110.4531	0.003	11	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	110.4300	0.008	2	110.4300	0.000	2	110.4531	0.003	11	110.8542	0.593	277	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:4:2:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a])	H(C[5]C[5,6a]O[5]H)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a]){2|C<3>,2|O<1>}	H(C[5]C[5,6a]O[5]H)	111.3185	0.036	2	111.3185	0.001	2	111.3185	0.001	2	111.3185	0.001	2	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:1:	3:4:3:	4:	C[5,6a]-3:O[5]-2:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H)	H(C[5]C[5,6a]O[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(Cl)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]Cl)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]O[5]HO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.3345	0.239	4	110.3345	0.057	4	110.3345	0.057	4	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	111.1593	0.114	3	111.1593	0.013	3	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.4895	0.194	4	110.4895	0.038	4	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.5750	0.000	1	110.5750	0.000	1	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.4800	0.000	1	110.4800	0.000	1	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.5085	0.080	2	110.5085	0.006	2	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]O)	119.3650	0.000	1	119.3650	0.000	1	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]O)	109.5950	0.000	1	109.5950	0.000	1	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]O)	116.3110	0.000	1	112.1975	7.573	4	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]O)	110.9870	0.065	2	112.1975	7.573	4	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:2:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[5]C[5,6a]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]O[5]O)	110.5050	0.000	1	112.1975	7.573	4	111.4858	6.162	17	111.1757	5.088	22	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NCC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	108.5860	0.000	1	108.5860	0.000	1	109.6685	1.785	36	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[5a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	109.7160	0.000	1	109.7160	0.000	1	109.6685	1.785	36	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]2)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	111.5420	0.000	1	111.5420	0.000	1	109.6685	1.785	36	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	109.6642	1.359	32	109.6642	1.848	32	109.6685	1.785	36	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[5]C[5,6a]O[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]N)	108.9670	0.000	1	108.9670	0.000	1	109.6685	1.785	36	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:3:4:	4:	C[5,6a]-3:S[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	H(C[5]C[5,6a]S[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(COO)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]S[5]C)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.6655	1.736	37	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:4:2:	4:	C[5,6a]-3:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a])	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(COO)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]C)	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:3:1:	3:4:3:	4:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6]O[5])	108.4300	0.156	2	108.4300	0.024	2	108.4300	0.024	2	108.4300	0.024	2	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.6880	0.441	2	109.6880	0.195	2	109.6880	0.195	2	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.0410	0.000	1	110.0410	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	110.5780	0.000	1	110.5780	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	108.9490	0.000	1	109.3158	0.198	5	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.0410	0.000	1	109.3158	0.198	5	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[5,6a]O[5]C)	109.1963	0.210	3	109.3158	0.198	5	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	108.9227	0.399	7	108.9227	0.159	7	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]C)	109.9140	0.000	1	110.1500	0.111	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.3860	0.000	1	110.1500	0.111	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]C)	111.5290	2.017	2	111.5290	4.067	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]O[5]C)	108.6850	0.000	1	108.6850	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]C)	110.0270	0.000	1	110.0270	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]C)	108.8820	0.000	1	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]O[5]C)	110.2488	0.157	5	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.4607	0.203	3	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]C)	109.2450	0.000	1	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]O[5]C)	109.3650	0.000	1	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]O[5]C)	111.3360	0.000	1	110.1212	0.451	12	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	H(C[5]C[5,6a]O[5]C)	109.7730	0.699	6	109.7730	0.488	6	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.5355	0.101	2	110.5355	0.010	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	H(C[5]C[5,6a]O[5]C)	110.0430	0.000	1	110.0430	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]O[5]C)	109.5140	0.000	1	109.5140	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	109.7440	0.000	1	109.7440	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	109.5930	0.000	1	109.5640	0.002	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	109.5350	0.000	1	109.5640	0.002	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]O[5]C)	110.2240	0.000	1	110.2240	0.000	1	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[5,6a]O[5]C)	109.8650	0.000	1	109.7910	0.011	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	109.7170	0.000	1	109.7910	0.011	2	109.8151	0.656	48	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]CH){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5]C)	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]CH){1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]O[5]C)	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:4:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP)	H(C[5]C[5,6a]O[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]O[5]P)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.8900	0.990	53	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:2:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2460	0.031	2	111.3457	0.014	4	111.3237	0.007	13	111.3237	0.007	13	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:2:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4455	0.008	2	111.3457	0.014	4	111.3237	0.007	13	111.3237	0.007	13	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:2:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3139	0.071	9	111.3139	0.005	9	111.3237	0.007	13	111.3237	0.007	13	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:B[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]B[5]H)	111.3660	0.008	2	111.3660	0.000	2	111.3063	0.011	3	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:B[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]N)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]B[5]H)	111.1870	0.000	1	111.1870	0.000	1	111.3063	0.011	3	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	H(C[5]C[5,6a]2H)	111.0030	0.024	2	111.0030	0.001	2	111.0030	0.001	2	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	H(C[5]C[5,6a]2H)	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	H(C[5]C[5,6a]2H)	111.1670	0.075	4	111.1670	0.006	4	111.1303	0.020	12	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	H(C[5]C[5,6a]2H)	111.1905	0.097	6	111.1905	0.009	6	111.1303	0.020	12	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	H(C[5]C[5,6a]2H)	110.8760	0.020	2	110.8760	0.000	2	111.1303	0.020	12	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,7|C<3>}	H(C[5]C[5,6a]2H)	111.1675	0.029	2	111.1675	0.001	2	111.1675	0.001	2	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]HH){2|N<3>,5|C<3>}	H(C[5]C[5,6a]2H)	111.1895	0.013	2	111.1895	0.000	2	111.1895	0.000	2	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2H)	111.7415	1.692	4	111.7415	2.863	4	111.7415	2.863	4	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]2H)	111.0590	0.023	2	111.0590	0.001	2	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	H(C[5]C[5,6a]2H)	111.8740	1.673	2	111.8740	2.799	2	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.1197	0.024	3	111.1197	0.001	3	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	H(C[5]C[5,6a]2H)	111.0262	0.056	11	111.1216	0.138	15	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	H(C[5]C[5,6a]2H)	111.3840	0.714	4	111.1216	0.138	15	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	H(C[5]C[5,6a]2H)	111.1998	0.074	10	111.1998	0.006	10	111.1890	0.188	32	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2{2|C<4>,4|C<3>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5,6a]2H)	111.1521	0.041	10	111.1521	0.002	10	111.1521	0.002	10	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2H)	111.0545	0.092	13	111.0545	0.008	13	111.0747	0.011	21	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2H)	111.0000	0.048	4	111.0000	0.002	4	111.0747	0.011	21	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]2H)	111.2150	0.061	4	111.2150	0.004	4	111.0747	0.011	21	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0900	0.023	2	111.0900	0.001	2	111.0900	0.001	2	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9190	0.088	2	110.9190	0.008	2	111.3334	0.033	16	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]Br)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Br<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5485	0.030	2	111.5485	0.001	2	111.3334	0.033	16	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.4500	0.000	1	111.4500	0.000	1	111.3334	0.033	16	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])2(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.3591	0.059	11	111.3591	0.003	11	111.3334	0.033	16	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0379	0.058	7	110.9164	0.036	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9930	0.054	2	110.9164	0.036	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8340	0.063	3	110.9164	0.036	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9600	0.032	4	110.9164	0.036	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.4510	0.030	2	110.9164	0.036	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7490	0.067	4	110.7490	0.004	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7940	0.047	2	110.9290	0.026	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0640	0.064	2	110.9290	0.026	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1430	0.011	2	111.1430	0.000	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8610	0.033	2	110.8610	0.001	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0600	0.044	2	111.0600	0.002	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	108.7035	1.966	2	108.7035	3.867	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1045	0.016	2	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8730	0.014	2	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1555	0.012	2	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0973	0.070	3	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9756	0.628	7	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2515	0.656	51	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9650	0.000	1	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2147	0.386	12	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1065	0.035	2	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.4920	0.016	2	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0653	0.071	3	111.1741	0.318	87	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9490	0.005	4	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Cr<9>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	116.5360	1.273	2	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9505	0.043	2	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1670	0.048	2	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4980	0.078	4	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)2{1|Ru<9>,1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3108	0.088	6	111.7480	2.812	20	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1705	0.042	2	111.1705	0.002	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2803	0.059	7	111.2803	0.003	7	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2705	0.016	2	111.2705	0.000	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2521	0.072	21	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|C<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1270	0.054	2	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1915	0.032	2	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1423	0.154	4	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2210	0.051	6	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2575	0.011	2	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2030	0.029	4	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.9270	0.000	1	111.2400	0.018	42	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	109.2545	2.872	2	111.3028	0.647	44	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0875	0.112	12	111.3028	0.647	44	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5310	0.577	28	111.3028	0.647	44	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4490	0.007	2	111.3028	0.647	44	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	112.6090	0.563	2	112.8555	0.499	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	113.1020	0.969	2	112.8555	0.499	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9145	0.011	2	110.9145	0.000	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2339	0.156	9	111.1528	0.022	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0364	0.107	5	111.1528	0.022	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)2{1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1160	0.032	4	111.1528	0.022	18	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	H(C[5]C[5,6a]C[5]H)	111.2205	0.026	2	110.9445	0.103	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6685	0.069	2	110.9445	0.103	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	115.2395	2.190	2	115.2395	4.796	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9420	0.054	2	110.9650	0.005	9	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9716	0.075	7	110.9650	0.005	9	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4620	0.090	4	111.3914	0.009	11	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3463	0.080	6	111.3914	0.009	11	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3790	0.000	1	111.3914	0.009	11	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9690	0.014	2	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.3345	0.057	4	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2225	0.013	2	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0075	0.049	2	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.6005	2.852	2	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9620	0.222	7	111.1406	0.519	19	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4300	0.066	2	111.4300	0.004	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9835	0.035	2	110.9835	0.001	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	112.5832	1.293	4	112.5832	1.672	4	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	113.2133	1.909	3	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	110.2685	0.088	2	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0747	0.007	3	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	111.1610	0.000	1	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	114.8805	1.450	2	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.9550	1.027	2	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	112.8128	2.586	18	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0475	0.012	2	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5978	1.012	32	112.0629	3.229	65	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<9>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9030	0.004	2	110.9030	0.000	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.2345	0.018	2	111.2345	0.000	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5]C[5,6a]C[5]H)	111.2315	0.040	2	111.2315	0.002	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	113.0675	0.040	2	113.0675	0.002	2	111.3998	1.181	388	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7800	0.085	2	110.7800	0.007	2	110.9295	0.034	4	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0790	0.064	2	111.0790	0.004	2	110.9295	0.034	4	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]N[5,6]H)	111.4827	0.037	4	111.4827	0.001	4	111.4827	0.001	4	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	111.3798	0.046	4	111.3798	0.002	4	111.3273	0.004	10	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	H(C[5]C[5,6a]N[5,6a]H)	111.2923	0.048	6	111.2923	0.002	6	111.3273	0.004	10	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2845	0.094	4	111.2845	0.009	4	111.2845	0.009	4	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH){1|C<4>,1|O<1>,1|O<2>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4768	0.027	5	111.4768	0.001	5	111.4768	0.001	5	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.5855	0.036	4	111.5855	0.001	4	111.5238	0.011	10	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4827	0.119	6	111.4827	0.014	6	111.5238	0.011	10	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4979	0.057	7	111.4979	0.003	7	111.4979	0.003	7	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.4505	0.015	2	111.4505	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	110.6005	0.097	8	110.6005	0.009	8	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3153	0.027	3	111.3153	0.001	3	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	112.2665	1.231	2	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3875	0.108	4	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4033	0.981	31	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[5]C[5,6a]N[5]H)	111.2910	0.000	1	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3030	0.012	4	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3320	0.029	5	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.2445	0.008	2	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5]H)	111.1915	0.081	8	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.2210	0.006	2	111.3764	0.560	59	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3310	0.148	2	111.3310	0.022	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3696	0.022	7	111.3696	0.000	7	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.1445	0.015	2	111.1445	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4250	0.027	2	111.3988	0.001	4	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3725	0.013	2	111.3988	0.001	4	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4835	0.004	2	111.4835	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4215	0.077	2	111.4215	0.006	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	110.9310	0.020	2	110.9310	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4620	0.007	2	111.3278	0.024	6	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2608	0.147	4	111.3278	0.024	6	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.3505	0.012	2	111.3505	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2820	0.000	1	111.2820	0.000	1	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|Si<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3203	0.205	8	111.3203	0.042	8	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.1729	0.164	8	111.1729	0.027	8	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4300	0.047	2	111.5037	0.008	4	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5775	0.032	2	111.5037	0.008	4	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Cl<1>,1|Si<4>,1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.5775	0.021	2	111.6956	0.787	14	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4560	0.028	3	111.6956	0.787	14	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	112.1762	1.723	4	111.6956	0.787	14	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	111.5190	0.006	2	111.6956	0.787	14	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4910	0.062	3	111.6956	0.787	14	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH){1|C<2>,1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.5365	0.026	2	111.5365	0.001	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[5]C[5,6a]N[5]H)	111.5195	0.005	2	111.4735	0.006	31	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4602	0.068	14	111.4735	0.006	31	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4798	0.095	15	111.4735	0.006	31	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3960	0.010	2	111.3960	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.4035	0.042	2	111.4035	0.002	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	H(C[5]C[5,6a]N[5]H)	111.2230	0.004	2	111.2230	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	111.0665	0.030	2	111.0665	0.001	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	112.1890	0.467	2	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.2090	0.061	14	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]N[5]H)	111.3100	0.017	2	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3233	0.093	40	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.1815	0.013	2	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.0968	0.038	4	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3040	0.047	4	111.3062	0.038	68	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	109.4750	0.010	3	109.4750	0.000	3	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	110.6505	0.028	2	110.6597	0.014	9	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	110.8970	0.000	1	110.6597	0.014	9	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	110.7525	0.012	2	110.6597	0.014	9	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	110.5615	0.005	2	110.6597	0.014	9	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{2|Pd<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Pd<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	110.5555	0.005	2	110.6597	0.014	9	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]H)	110.1780	0.010	2	110.1780	0.000	2	111.2926	0.275	259	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,4|C<3>}	H(C[5]C[5,6a]P[5]H)	110.2302	0.099	8	110.2302	0.010	8	110.2302	0.010	8	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	110.3760	0.014	2	110.5737	0.033	6	111.5076	3.034	8	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]S[5]H)	110.6725	0.123	4	110.5737	0.033	6	111.5076	3.034	8	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	114.3095	0.377	2	114.3095	0.142	2	111.5076	3.034	8	111.3277	0.717	814	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:2:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a])	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a]){4|C<3>}	H(C[5]C[5,6a]2H)	111.3445	0.019	2	111.3445	0.000	2	111.3445	0.000	2	111.3202	0.001	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:2:	4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	111.3080	0.021	4	111.3080	0.000	4	111.3080	0.000	4	111.3202	0.001	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.6016	0.061	5	111.6016	0.004	5	111.6016	0.004	5	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]H)	111.5640	0.021	2	111.5640	0.000	2	111.4949	0.002	12	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]H)	111.5340	0.024	2	111.5340	0.001	2	111.4949	0.002	12	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.4770	0.006	4	111.4679	0.000	8	111.4949	0.002	12	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.4460	0.008	2	111.4679	0.000	8	111.4949	0.002	12	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]H)	111.4715	0.011	2	111.4679	0.000	8	111.4949	0.002	12	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.4990	0.072	2	111.4990	0.005	2	111.4990	0.005	2	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a]H)	111.4490	0.029	4	111.4490	0.001	4	111.4490	0.001	4	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.7182	4.035	4	111.2329	5.673	10	111.2329	5.673	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1870	0.013	2	111.2329	5.673	10	111.2329	5.673	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.7705	0.015	4	111.2329	5.673	10	111.2329	5.673	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	109.2710	1.464	2	110.7368	0.836	10	110.8033	0.648	13	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1605	0.011	2	110.7368	0.836	10	110.8033	0.648	13	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1135	0.008	2	110.7368	0.836	10	110.8033	0.648	13	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0695	0.012	4	110.7368	0.836	10	110.8033	0.648	13	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0250	0.172	3	111.0250	0.030	3	110.8033	0.648	13	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.3390	0.022	4	111.3330	0.001	8	111.3138	0.003	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.3270	0.028	4	111.3330	0.001	8	111.3138	0.003	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2370	0.086	2	111.2370	0.007	2	111.3138	0.003	10	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0235	0.084	2	111.0235	0.007	2	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	110.9700	0.010	2	110.9700	0.000	2	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0874	0.112	5	111.5818	1.129	49	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0018	0.382	6	111.5818	1.129	49	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.7384	1.154	38	111.5818	1.129	49	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|S<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<1>,4|C<3>}	H(C[5]C[5,6a]2H)	112.1005	0.217	2	111.3297	0.205	54	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|S<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	H(C[5]C[5,6a]2H)	112.0990	0.040	2	111.3297	0.205	54	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	H(C[5]C[5,6a]2H)	111.2681	0.411	50	111.3297	0.205	54	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0882	0.179	5	111.1417	0.013	18	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[5]C[5,6a]2H)	111.2080	0.030	3	111.1417	0.013	18	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.1486	0.081	10	111.1417	0.013	18	111.3908	0.557	125	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1575	0.023	2	111.1575	0.001	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[5]C[5,6a]2H)	111.3045	0.035	2	111.3045	0.001	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2383	0.027	6	111.2439	0.001	10	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2523	0.052	4	111.2439	0.001	10	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,6|C<3>}	H(C[5]C[5,6a]2H)	111.2040	0.016	2	111.2040	0.000	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1900	0.008	2	112.0879	1.616	9	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	112.3444	1.345	7	112.0879	1.616	9	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1830	0.000	1	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0240	0.000	1	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.3563	0.818	11	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]2H)	111.1788	0.089	10	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2650	0.007	2	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]2H)	111.2885	0.016	2	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	110.9382	1.542	15	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1920	0.114	6	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.4648	0.419	10	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2190	0.013	2	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2003	0.023	6	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.1614	0.072	5	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2059	0.087	9	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1865	0.094	12	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	H(C[5]C[5,6a]2H)	108.2525	0.450	2	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.0600	0.941	33	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.2849	0.590	40	111.1576	0.627	167	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.7533	2.007	4	111.7533	4.029	4	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.3321	1.174	14	111.3321	1.379	14	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	H(C[5]C[5,6a]2H)	111.2080	0.038	2	111.2080	0.001	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]2H)	111.2990	0.040	4	111.2990	0.002	4	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,5|C<3>}	H(C[5]C[5,6a]2H)	111.2435	0.008	2	111.2435	0.000	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2H)	111.1135	0.011	2	111.1135	0.000	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1990	0.013	2	111.1990	0.000	2	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[5]C[5,6a]2H)	111.1030	0.020	2	111.0875	0.011	20	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2H)	111.0858	0.111	18	111.0875	0.011	20	111.2149	0.649	242	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]Br)	109.2810	0.000	1	109.2810	0.000	1	109.7100	0.360	3	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]Br)	109.9245	0.667	2	109.9245	0.445	2	109.7100	0.360	3	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5]H)	111.4175	0.012	2	111.5000	0.007	5	111.5000	0.007	5	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5]H)	111.5550	0.056	3	111.5000	0.007	5	111.5000	0.007	5	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]H)	111.7837	0.044	8	111.7837	0.002	8	111.7837	0.002	8	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,6]H)	111.5200	0.084	4	111.5200	0.007	4	111.5200	0.007	4	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]B[5,6a]2)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6a]H)	110.8215	0.065	6	110.8215	0.004	6	110.8215	0.004	6	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:Se[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]Se[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]Se[5]H)	110.6365	0.040	8	110.6365	0.002	8	110.6365	0.002	8	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5a]H)	111.4955	0.023	2	111.4955	0.001	2	111.4955	0.001	2	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6]H)	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6]H)	111.0630	0.049	2	111.0630	0.002	2	111.0630	0.002	2	111.2595	0.666	461	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5,6]O)	110.7560	0.218	2	110.7560	0.047	2	110.7560	0.047	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO)	H(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO){4|C<3>}	H(C[5]C[5,6a]2O)	109.8430	0.000	1	109.8430	0.000	1	108.9220	1.696	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)	H(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO){6|C<3>}	H(C[5]C[5,6a]2O)	108.0010	0.000	1	108.0010	0.000	1	108.9220	1.696	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	110.4510	0.000	1	110.4510	0.000	1	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	107.2660	0.000	1	108.8423	7.234	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	109.6305	3.277	2	108.8423	7.234	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	110.1530	0.000	1	109.5130	0.704	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.8230	0.000	1	109.5130	0.704	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	108.5630	0.000	1	109.5130	0.704	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	111.7640	0.000	1	111.7640	0.000	1	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	108.5285	0.636	2	108.5285	0.404	2	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	109.4410	0.000	1	109.4410	0.000	1	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	108.2155	0.258	2	108.0270	0.140	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	107.6500	0.000	1	108.0270	0.140	3	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	110.3210	0.000	1	110.3210	0.000	1	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]O)	109.1990	0.000	1	109.1990	0.000	1	109.2112	2.115	16	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]S)	110.6460	1.689	2	110.6460	2.851	2	110.6460	2.851	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5]C)	109.3800	0.000	1	109.3800	0.000	1	109.5105	0.034	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.6410	0.000	1	109.6410	0.000	1	109.5105	0.034	2	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]N[5]O)	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	111.1050	0.000	1	111.1050	0.000	1	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	109.6117	0.699	3	111.2678	5.389	5	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]O)	113.7520	0.096	2	111.2678	5.389	5	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	109.8987	0.797	3	109.8987	0.635	3	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]O)	109.3340	0.000	1	109.3340	0.000	1	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]N[5]O)	108.3245	0.071	2	108.3245	0.005	2	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	108.8150	0.000	1	108.8150	0.000	1	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H){1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	H(C[5]C[5,6a]N[5]O)	111.9010	0.000	1	111.9010	0.000	1	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	110.8050	0.000	1	111.4900	0.653	3	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]O)	111.8325	0.776	2	111.4900	0.653	3	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]O)	111.4685	1.175	2	111.4685	1.379	2	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]O)	110.4780	0.000	1	110.4780	0.000	1	110.5862	2.643	20	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<2>,1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]S)	107.6990	0.000	1	107.9630	0.522	10	107.9630	0.522	10	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	H(C[5]C[5,6a]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]S)	107.9923	0.760	9	107.9630	0.522	10	107.9630	0.522	10	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:3:4:	4:	C[5,6a]-3:S[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(SC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS)	H(C[5]C[5,6a]S[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]C)(SC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]S[5]S)	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	109.5951	2.624	58	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:2:	4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]O)	113.2193	0.042	3	113.2193	0.002	3	113.2193	0.002	3	113.2193	0.002	3	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]O)	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:S-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]S)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]S)	110.4895	0.074	4	110.4895	0.006	4	110.4895	0.006	4	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]2O)	109.8410	0.000	1	109.8410	0.000	1	110.2972	3.186	4	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2O)	111.6930	0.013	2	111.6930	0.000	2	110.2972	3.186	4	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2O)	107.9620	0.000	1	107.9620	0.000	1	110.2972	3.186	4	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	112.1680	0.000	1	110.7910	3.792	2	110.2470	2.784	3	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	109.4140	0.000	1	110.7910	3.792	2	110.2470	2.784	3	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5a]O[5])	109.1590	0.000	1	109.1590	0.000	1	110.2470	2.784	3	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6]O[5])	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	107.8050	0.000	1	107.8050	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]O[5])	108.8610	0.020	2	108.8610	0.000	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	107.5310	0.000	1	107.5310	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.2265	0.071	2	108.2265	0.005	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]O[5]H)(C[6a]N[6a]F){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.0300	0.000	1	108.0300	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.8080	0.000	1	108.8080	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.7150	0.000	1	109.7525	0.003	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.7900	0.000	1	109.7525	0.003	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.5330	0.000	1	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.6640	0.000	1	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.3570	0.000	1	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	111.5930	0.000	1	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	109.4157	0.435	3	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]O[5])	109.3410	0.063	3	109.4417	0.760	10	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.7000	0.000	1	108.7000	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.3700	0.000	1	108.3117	0.036	3	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.2825	0.260	2	108.3117	0.036	3	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.2170	0.000	1	108.6050	0.301	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.9930	0.000	1	108.6050	0.301	2	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]O[5])	108.8210	0.000	1	108.8210	0.000	1	108.8866	0.677	27	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,6]O)	111.0905	0.091	2	111.0905	0.008	2	111.0905	0.008	2	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]O[5])	110.2580	0.346	2	110.2580	0.120	2	110.2580	0.120	2	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5a]O[5])	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[6]O[5])	108.6905	0.110	4	108.6905	0.012	4	108.6905	0.012	4	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:N[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[6a]O[5])	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.3600	1.247	51	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.1060	0.511	2	107.1060	0.261	2	107.1060	0.261	2	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	109.8240	0.000	1	108.9740	1.445	2	108.5770	1.646	6	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	108.1240	0.000	1	108.9740	1.445	2	108.5770	1.646	6	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	108.7410	0.000	1	108.7410	0.000	1	108.5770	1.646	6	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	H(C[5]C[5,6a]2C[6a])	106.3830	0.000	1	108.2577	3.069	3	108.5770	1.646	6	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	H(C[5]C[5,6a]2C[6a])	109.1950	0.931	2	108.2577	3.069	3	108.5770	1.646	6	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	108.5020	0.000	1	108.5020	0.000	1	109.3509	0.295	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|Sn<4>,1|H<1>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	109.1340	0.000	1	109.0427	0.022	3	109.3509	0.295	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	108.9970	0.180	2	109.0427	0.022	3	109.3509	0.295	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	H(C[5]C[5,6a]2C[6a])	109.7943	0.274	4	109.7943	0.075	4	109.3509	0.295	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H){1|H<1>,2|C<4>,6|C<3>}	H(C[5]C[5,6a]2N[6])	109.3870	0.130	2	109.3870	0.017	2	109.3870	0.017	2	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:B-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BNN)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]B)	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.0040	0.000	1	109.0040	0.000	1	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	107.2820	0.000	1	107.2820	0.000	1	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	108.5060	0.000	1	108.5060	0.000	1	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.2930	0.000	1	107.0790	0.074	3	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	106.7730	0.000	1	107.0790	0.074	3	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.1710	0.000	1	107.0790	0.074	3	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3050	0.000	1	108.7410	0.636	2	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.1770	0.000	1	108.7410	0.636	2	107.9389	0.882	8	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	109.2960	0.000	1	109.2960	0.000	1	109.0460	0.999	5	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	107.6840	0.000	1	108.0525	0.272	2	109.0460	0.999	5	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	108.4210	0.000	1	108.0525	0.272	2	109.0460	0.999	5	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NCS)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	109.6150	0.000	1	109.6150	0.000	1	109.0460	0.999	5	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	110.2140	0.000	1	110.2140	0.000	1	109.0460	0.999	5	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HN){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]P)	109.3913	2.380	3	109.3913	5.667	3	109.3913	5.667	3	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.0130	0.000	1	109.0130	0.000	1	109.6795	0.311	4	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.7280	0.000	1	109.7280	0.000	1	109.6795	0.311	4	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5]C)	109.9885	0.542	2	109.9885	0.294	2	109.6795	0.311	4	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	109.8590	0.000	1	110.0377	0.050	3	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	110.2890	0.000	1	110.0377	0.050	3	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	109.9650	0.000	1	110.0377	0.050	3	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	108.2600	0.000	1	108.2600	0.000	1	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	109.1670	0.000	1	109.1670	0.000	1	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	108.0930	0.000	1	108.0930	0.000	1	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]N)	109.3915	0.073	2	109.3915	0.005	2	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]N)	108.1175	0.374	6	108.1175	0.140	6	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[5]C[5,6a]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]N)	108.2770	0.000	1	108.2770	0.000	1	108.7599	0.719	15	108.7884	1.194	59	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	109.0820	0.000	1	108.8920	0.031	3	108.8692	0.023	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.7970	0.089	2	108.8920	0.031	3	108.8692	0.023	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C[6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5,6a]C[6a])	108.8010	0.000	1	108.8010	0.000	1	108.8692	0.023	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.7860	0.000	1	109.0500	0.139	2	109.0500	0.139	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.3140	0.000	1	109.0500	0.139	2	109.0500	0.139	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	106.8530	0.663	2	106.8530	0.440	2	107.8487	1.473	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.8445	0.118	2	108.8445	0.014	2	107.8487	1.473	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.6250	0.000	1	108.7207	0.305	4	108.7207	0.305	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.5020	0.000	1	108.7207	0.305	4	108.7207	0.305	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.2020	0.000	1	108.7207	0.305	4	108.7207	0.305	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	108.5540	0.000	1	108.7207	0.305	4	108.7207	0.305	4	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:B-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2B)	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2B)	105.9665	0.022	2	105.9665	0.000	2	105.9665	0.000	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	106.4850	0.096	2	106.4850	0.009	2	105.6807	13.636	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.3475	0.015	2	109.3475	0.000	2	105.6807	13.636	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	101.2095	0.028	2	101.2095	0.001	2	105.6807	13.636	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[5a])	108.2105	0.006	2	108.2105	0.000	2	108.2105	0.000	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	H(C[5]C[5,6a]2C[6a])	106.4690	0.000	1	106.4690	0.000	1	106.4690	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	104.6640	0.170	2	104.6640	0.029	2	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.8658	0.577	6	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.9670	0.000	1	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.7340	0.033	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.8935	0.028	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2C[6a])	106.7690	1.041	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	106.7625	1.033	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]2C[6a])	111.2390	1.704	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	107.9240	0.074	2	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.4328	0.536	6	108.6561	1.733	25	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	H(C[5]C[5,6a]2C[6a])	111.3555	5.303	2	111.3555	28.118	2	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2C[6a])	108.8675	0.275	4	108.8675	0.076	4	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	H(C[5]C[5,6a]2C[6a])	109.9700	0.000	1	109.9700	0.000	1	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.5170	0.000	1	108.5170	0.000	1	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	106.4170	0.000	1	108.6967	1.198	7	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.1460	0.000	1	108.6967	1.198	7	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	108.9610	0.000	1	108.6967	1.198	7	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.0883	0.608	4	108.6967	1.198	7	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]2C[6a])	109.8260	0.000	1	109.8260	0.000	1	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2C[6a])	108.1020	0.000	1	108.1020	0.000	1	108.6637	2.958	44	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[3]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[3]C[3]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[3])	C[5](C[5,6a]C[5,6a]C[6a])2(N[3]C[3]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[3])	109.8315	0.032	2	109.8315	0.001	2	109.8315	0.001	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[5])	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){1|Rh<6>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]2N[5])	109.4315	0.049	2	109.1868	0.058	6	109.1868	0.058	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[5])	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[5])	109.0645	0.188	4	109.1868	0.058	6	109.1868	0.058	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H){2|C<4>,5|C<3>}	H(C[5]C[5,6a]2N[6])	107.0290	0.000	1	107.0290	0.000	1	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[6])	108.1190	0.037	2	108.6066	0.508	11	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[6])	108.5495	0.078	4	108.6066	0.508	11	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]2N[6])	109.2265	0.045	2	108.6066	0.508	11	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[6])	107.0040	0.000	1	108.6066	0.508	11	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2N[6])	109.3900	0.031	2	108.6066	0.508	11	108.4752	0.669	12	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2P)	111.5215	0.056	2	111.5215	0.003	2	111.5215	0.003	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.9820	0.000	1	110.9820	0.000	1	109.7300	3.135	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|I<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4780	0.000	1	108.4780	0.000	1	109.7300	3.135	2	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N[5])	108.9290	0.000	1	108.9290	0.000	1	108.7603	0.295	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.1530	0.000	1	108.6760	0.547	2	108.7603	0.295	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N[5])	109.1990	0.000	1	108.6760	0.547	2	108.7603	0.295	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Si-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	H(C[5]C[5,6a]C[5]Si)	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	106.9100	0.000	1	106.9100	0.000	1	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5a]C[5])	109.7590	0.000	1	108.0665	5.729	2	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5a]C[5])	106.3740	0.000	1	108.0665	5.729	2	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	105.8890	0.000	1	107.9900	5.998	4	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.4080	0.000	1	107.9900	5.998	4	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.1360	0.000	1	107.9900	5.998	4	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5a]C[5])	111.5270	0.000	1	107.9900	5.998	4	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5a]C[5])	109.1870	0.000	1	109.1870	0.000	1	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	94.2476	0.000	1	94.2476	0.000	1	106.4931	24.377	9	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5a]N[5])	108.4890	0.000	1	108.4890	0.000	1	109.1170	0.365	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	109.6950	0.000	1	109.6950	0.000	1	109.1170	0.365	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5a]N[5])	109.1670	0.000	1	109.1670	0.000	1	109.1170	0.365	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C[6])	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6]N[5])	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.1965	0.520	13	110.2332	0.288	15	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	111.0410	0.000	1	110.2332	0.288	15	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.9020	0.000	1	110.2332	0.288	15	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]C[6a]C[5])	108.3720	0.000	1	108.3720	0.000	1	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6090	0.000	1	109.2212	0.354	12	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2870	0.000	1	109.2212	0.354	12	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.4117	0.209	6	109.2212	0.354	12	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.3540	0.000	1	109.2212	0.354	12	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6450	1.071	3	109.2212	0.354	12	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.0350	0.000	1	109.0350	0.000	1	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9060	0.000	1	108.7345	0.059	2	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.5630	0.000	1	108.7345	0.059	2	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6420	0.000	1	108.6420	0.000	1	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4250	0.000	1	108.4186	1.190	8	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.9520	1.803	2	108.4186	1.190	8	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.7745	0.477	2	108.4186	1.190	8	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.1045	1.595	2	108.4186	1.190	8	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2620	0.000	1	108.4186	1.190	8	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.0120	0.000	1	110.0120	0.000	1	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.1680	0.194	2	108.4723	0.213	4	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7765	0.480	2	108.4723	0.213	4	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]N)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]S[6a]S[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.8730	0.000	1	109.8730	0.000	1	109.3216	0.930	46	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.8220	0.081	2	109.8220	0.006	2	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.0000	0.000	1	109.0000	0.000	1	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.1270	0.000	1	109.6477	3.672	3	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.0160	0.000	1	109.6477	3.672	3	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	111.8000	0.000	1	109.6477	3.672	3	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.8160	0.000	1	108.8160	0.000	1	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.5810	0.000	1	109.6792	0.374	11	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]N[5])	110.4480	0.000	1	109.6792	0.374	11	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.7870	0.000	1	109.6792	0.374	11	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.4352	0.421	6	109.6792	0.374	11	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.5220	1.017	2	109.6792	0.374	11	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	111.5580	0.000	1	111.5580	0.000	1	109.7069	0.881	19	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C[6a])	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	111.5800	0.000	1	111.5800	0.000	1	110.9710	0.378	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	110.3510	0.000	1	110.3510	0.000	1	110.9710	0.378	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6a]C)	110.9820	0.000	1	110.9820	0.000	1	110.9710	0.378	3	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5a]N[5])	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.5817	0.306	3	108.5817	0.094	3	108.9983	0.586	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	108.3560	0.000	1	109.4150	0.850	3	108.9983	0.586	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	110.0380	0.000	1	109.4150	0.850	3	108.9983	0.586	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]N[5])	109.8510	0.000	1	109.4150	0.850	3	108.9983	0.586	6	108.8061	3.617	187	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	H(C[5]C[5,6a]2C)	110.0070	0.000	1	110.0070	0.000	1	110.3723	0.255	7	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	H(C[5]C[5,6a]2C)	110.4917	0.819	3	110.4917	0.671	3	110.3723	0.255	7	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	H(C[5]C[5,6a]2C)	110.3747	0.078	3	110.3747	0.006	3	110.3723	0.255	7	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2C)	110.9440	0.004	2	110.9440	0.000	2	110.9440	0.000	2	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2C)	109.7000	0.000	1	109.7000	0.000	1	109.4330	0.143	2	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	H(C[5]C[5,6a]2C)	109.1660	0.000	1	109.1660	0.000	1	109.4330	0.143	2	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	H(C[5]C[5,6a]2C[5])	111.1725	0.370	4	111.1725	0.137	4	111.1725	0.137	4	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5,6a]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS)	H(C[5]C[5,6a]2S)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS){5|C<3>}	H(C[5]C[5,6a]2S)	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:B-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(BC[6a]3)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[5]C[5,6a]C[5]B)	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]C)	110.1540	0.000	1	110.1540	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	110.3483	0.285	3	110.3483	0.081	3	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]C)	111.0780	0.000	1	109.5870	4.446	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.0960	0.000	1	109.5870	4.446	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]C)	109.2480	0.231	2	109.2480	0.053	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.4390	0.643	2	109.4390	0.414	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.0220	0.000	1	108.0220	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3570	0.000	1	109.3570	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	113.3650	3.173	2	113.3650	10.071	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.1910	0.000	1	109.1910	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.9890	0.000	1	107.9890	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	111.5700	0.000	1	111.5700	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.2510	0.202	2	108.9883	0.227	3	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.4630	0.000	1	108.9883	0.227	3	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]C[5]C)	108.7530	0.000	1	108.7530	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.0813	0.828	3	109.2188	0.532	4	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.6310	0.000	1	109.2188	0.532	4	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6340	0.000	1	110.6340	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.1175	0.004	2	108.1175	0.000	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]C[5]C)	109.3890	0.000	1	109.3890	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.2540	0.000	1	108.2540	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]C)	110.9330	0.000	1	110.9330	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	107.4070	0.564	2	108.1057	1.624	3	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]C[5]C)	109.5030	0.000	1	108.1057	1.624	3	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.6860	0.000	1	107.6860	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[5]C[5,6a]C[5]C)	107.2110	0.000	1	107.2110	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.7450	0.000	1	107.7450	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.9870	0.000	1	108.9870	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.4770	0.962	2	109.4770	0.925	2	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.5660	0.000	1	109.5660	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.5910	0.000	1	107.5910	0.000	1	109.3024	2.267	42	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]P)	110.7170	0.000	1	110.7170	0.000	1	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]P)	112.7020	0.000	1	112.7020	0.000	1	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]P)	109.7090	0.000	1	109.7090	0.000	1	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]P)	109.7330	0.000	2	109.7330	0.000	2	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]P)	107.6400	0.000	2	107.6400	0.000	2	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]P)	111.2220	0.000	2	111.2220	0.000	2	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5]P)	110.5520	0.000	1	110.5520	0.000	1	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]P)	111.6080	0.000	1	111.6080	0.000	1	110.2253	2.450	11	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]S)	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]Si)	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|S<4>,5|C<3>,5|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.7550	0.000	1	108.7550	0.000	1	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6760	0.000	1	108.6760	0.000	1	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7715	0.702	2	108.7715	0.493	2	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	110.1895	0.366	2	109.8831	0.260	11	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.8990	0.092	4	109.8831	0.260	11	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7478	0.735	5	109.8831	0.260	11	109.5792	0.493	15	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	H(C[5]C[5,6a]N[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,6]C)	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	110.0230	0.000	1	110.0230	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.7500	0.000	1	109.7500	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	110.0490	0.000	1	110.0490	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	110.2630	0.000	1	110.2630	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.6857	0.293	3	109.6857	0.086	3	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.0860	0.000	1	109.0860	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	113.4660	0.000	1	113.4660	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	108.2550	0.000	1	108.2550	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.2260	0.000	1	109.2260	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.3870	0.000	1	109.3870	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.7090	0.242	2	109.7090	0.058	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	110.3010	0.000	1	110.3010	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	110.2782	0.650	4	110.2782	0.422	4	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.6890	0.000	1	109.6890	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]N[5]C)	109.1030	0.000	1	108.7685	0.224	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	108.4340	0.000	1	108.7685	0.224	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	111.0160	0.000	1	111.0160	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	111.3440	0.000	1	111.3440	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	110.9050	0.000	1	110.2195	0.940	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.5340	0.000	1	110.2195	0.940	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.4170	0.000	1	109.4170	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.3930	0.000	1	109.3930	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.8930	0.000	1	109.8930	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]C)	109.1860	0.000	1	109.1860	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	110.2790	0.000	1	110.2790	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	109.8007	1.019	6	109.8007	1.038	6	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]N[5]C)	108.9785	0.175	2	108.9785	0.031	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[5]C[5,6a]N[5]C)	108.3935	0.206	2	108.3935	0.042	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[5]C[5,6a]N[5]C)	108.9780	0.000	1	108.9780	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	107.3260	0.000	1	107.3260	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	112.6440	4.380	2	112.6440	19.183	2	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	109.7280	0.000	1	109.7280	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	113.3270	0.000	1	113.3270	0.000	1	109.9103	2.020	47	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]N[5]C)	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:3:4:	4:	C[5,6a]-3:S[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	H(C[5]C[5,6a]S[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]S[5]C)	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	109.8608	2.151	137	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]C)	109.6980	0.000	1	109.6980	0.000	1	109.5940	0.022	2	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,5a]C[5,6a]C)	109.4900	0.000	1	109.4900	0.000	1	109.5940	0.022	2	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5,5]N)	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]Si)	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]P)	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	110.0090	0.000	1	110.0090	0.000	1	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	110.4950	0.905	3	110.4950	0.819	3	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	110.3900	0.065	3	110.3900	0.004	3	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]2C)	109.7250	0.000	1	109.7563	0.001	3	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.7720	0.025	2	109.7563	0.001	3	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.4876	0.598	12	109.4876	0.358	12	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]2C)	108.2720	0.004	2	108.2720	0.000	2	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	108.9060	0.024	4	108.9060	0.001	4	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.1383	1.014	7	109.1383	1.028	7	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.8545	0.032	2	109.8545	0.001	2	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	107.9873	0.273	4	107.9873	0.075	4	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.7140	0.281	4	109.7140	0.079	4	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	115.1030	3.383	2	115.1030	11.443	2	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	108.1020	0.420	2	109.2156	0.502	9	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]2C)	109.5935	0.354	4	109.2156	0.502	9	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	109.4540	0.348	3	109.2156	0.502	9	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	H(C[5]C[5,6a]2C)	108.1435	0.510	2	108.1435	0.260	2	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[5]C[5,6a]2C)	107.9295	0.086	2	110.2489	1.870	103	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C)	110.2949	1.341	101	110.2489	1.870	103	109.9845	2.041	161	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]2C[5])	108.3210	0.016	2	108.3210	0.000	2	108.8720	0.420	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]2C[5])	109.2978	0.690	4	109.2978	0.476	4	108.8720	0.420	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C[5])	108.5715	0.029	2	108.5715	0.001	2	108.8720	0.420	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Ge)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Ge)	108.0330	0.037	2	108.0330	0.001	2	107.4220	1.121	3	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Ge)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Ge)	106.2000	0.000	1	106.2000	0.000	1	107.4220	1.121	3	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2P)	110.2550	0.007	4	110.2550	0.000	4	110.8036	1.797	11	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2P)	111.2310	0.000	1	111.2310	0.000	1	110.8036	1.797	11	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2P)	111.6785	2.002	4	111.6785	4.009	4	110.8036	1.797	11	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[5]C[5,6a]2P)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2P)	109.9375	0.016	2	109.9375	0.000	2	110.8036	1.797	11	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H)	H(C[5]C[5,6a]2S)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2S)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Si)	110.6660	0.000	1	110.6660	0.000	1	110.4711	1.698	21	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]2Si)	109.4960	0.707	2	109.7133	1.518	12	110.4711	1.698	21	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Si)	109.7568	1.337	10	109.7133	1.518	12	110.4711	1.698	21	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Si)	111.5700	0.358	4	111.5700	0.128	4	110.4711	1.698	21	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2Si)	111.5970	0.129	4	111.5970	0.017	4	110.4711	1.698	21	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si[4])	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H){1|C<4>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]2Si[4])	110.1610	0.969	4	110.1610	0.939	4	110.1610	0.939	4	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2Si[5])	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H){10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]2Si[5])	109.9050	0.061	2	109.9050	0.004	2	109.9050	0.004	2	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3]C[5])	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Ga)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]Ga)	124.3670	5.165	2	124.3670	26.674	2	124.3670	26.674	2	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]Si)	110.6510	0.530	4	110.6510	0.281	4	111.9806	3.080	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	H(C[5]C[5,6a]C[5]Si)	114.0380	0.331	3	114.0380	0.110	3	111.9806	3.080	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]Si)	111.1270	0.000	1	111.1270	0.000	1	111.9806	3.080	8	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.6370	0.385	2	107.6370	0.148	2	107.6370	0.148	2	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	110.3090	0.000	1	110.3090	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.0805	0.151	2	108.0805	0.023	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2670	0.000	1	109.2670	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.8030	0.745	2	108.1680	1.428	6	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.9880	0.318	2	108.1680	1.428	6	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	106.7130	0.315	2	108.1680	1.428	6	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.0710	0.000	1	106.0710	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2990	0.000	1	106.2990	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]C[6a]C[5])	108.5660	0.000	1	108.5660	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.1820	0.000	1	108.5334	0.365	5	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.6097	0.354	3	108.5334	0.365	5	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.6560	0.000	1	108.5334	0.365	5	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1950	0.000	1	108.4653	0.571	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.3190	0.000	1	108.4653	0.571	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.8820	0.000	1	108.4653	0.571	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|B<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	107.8860	0.383	2	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2610	0.000	1	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.0163	0.443	7	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1926	0.656	5	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.1656	0.357	7	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.3480	0.000	1	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.3140	0.000	1	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.4100	0.000	1	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.0216	0.434	5	108.1150	0.173	30	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.8810	0.000	1	109.0430	0.052	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.2050	0.000	1	109.0430	0.052	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7640	0.110	2	108.7640	0.012	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2790	0.000	1	109.2790	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.7760	0.000	1	109.6970	0.012	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6180	0.000	1	109.6970	0.012	2	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	111.3280	0.000	1	111.3280	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.4273	0.350	4	109.4273	0.123	4	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.7430	0.000	1	108.9440	0.483	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6100	0.000	1	108.9440	0.483	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4790	0.000	1	108.9440	0.483	3	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.5440	0.000	1	109.5440	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.7760	0.000	1	108.7760	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	111.0530	0.000	1	111.0530	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2980	0.000	1	109.2980	0.000	1	108.5146	0.881	70	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]S[5])	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5]C)	109.8560	0.000	1	109.8560	0.000	1	110.7029	0.660	7	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]N[5,5]C)	110.8575	0.545	2	110.4430	0.393	4	110.7029	0.660	7	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,5]C)	110.3400	0.000	1	110.4430	0.393	4	110.7029	0.660	7	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]N[5,5]C)	109.7170	0.000	1	110.4430	0.393	4	110.7029	0.660	7	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,5]C)	111.6460	0.132	2	111.6460	0.017	2	110.7029	0.660	7	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5a]C)	109.9060	0.000	1	109.9060	0.000	1	110.4437	0.252	3	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5,5a]C)	110.7125	0.264	2	110.7125	0.070	2	110.4437	0.252	3	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,5a]C[4])	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.6413	0.403	3	110.2407	0.422	6	110.2407	0.422	6	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	109.2310	0.000	1	110.2407	0.422	6	110.2407	0.422	6	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,5a]C[6])	110.1445	0.514	2	110.2407	0.422	6	110.2407	0.422	6	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5,6]C)	110.1543	0.499	3	110.1543	0.249	3	110.1543	0.249	3	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6a]C)	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]N[5a]C[5])	108.7300	0.000	1	108.7300	0.000	1	109.2880	1.402	4	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[5]C[5,6a]N[5a]C[5])	110.2355	0.559	2	110.2355	0.313	2	109.2880	1.402	4	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]N[5a]C[5])	107.9510	0.000	1	107.9510	0.000	1	109.2880	1.402	4	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[6,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,6|H<1>}	H(C[5]C[5,6a]N[6,6]C[5])	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5a]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,5a]C)	110.3700	0.000	1	110.3700	0.000	1	110.3700	0.000	1	109.8090	3.565	329	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1995	0.009	2	111.1995	0.000	2	110.6458	0.329	5	110.6668	0.266	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7190	0.000	1	110.7190	0.000	1	110.6458	0.329	5	110.6668	0.266	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]C[5]H)	110.0555	0.026	2	110.0555	0.001	2	110.6458	0.329	5	110.6668	0.266	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.6668	0.266	6	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]B[5]C[5]H)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]B[5]H)	110.5840	0.004	2	110.5840	0.000	2	110.8622	0.048	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]B[5]H)	111.0400	0.031	2	111.0400	0.001	2	110.8622	0.048	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:B[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[5]C[5,6a]B[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]N[5]Cl)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]B[5]H)	110.9625	0.009	2	110.9625	0.000	2	110.8622	0.048	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[4,5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[4,5]H)	111.2240	1.394	4	111.2240	1.944	4	111.2240	1.944	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.9555	0.040	2	110.9555	0.002	2	110.9555	0.002	2	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	111.0770	0.044	2	111.0770	0.002	2	111.0770	0.002	2	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8250	0.016	2	110.8250	0.000	2	110.9903	0.037	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1555	0.042	2	111.1555	0.002	2	110.9903	0.037	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.3510	0.023	2	111.3510	0.001	2	111.3510	0.001	2	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]C[5]BrH)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]C[5]BrH){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]Br)	110.4948	0.462	6	110.4948	0.214	6	110.4948	0.214	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH){2|Br<1>,1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]Br)	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4475	0.012	2	110.4475	0.000	2	110.6503	0.024	18	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.5588	0.114	8	110.5588	0.013	8	110.6503	0.024	18	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7925	0.018	8	110.7925	0.000	8	110.6503	0.024	18	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1030	0.062	2	111.1783	0.009	4	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2535	0.018	2	111.1783	0.009	4	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1240	0.000	1	111.1240	0.000	1	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.5960	0.000	1	110.7200	0.013	3	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7820	0.047	2	110.7200	0.013	3	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3985	0.015	2	110.9912	0.038	13	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0290	0.008	2	110.9912	0.038	13	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8257	0.022	3	110.9912	0.038	13	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9255	0.048	6	110.9912	0.038	13	110.9944	0.044	21	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.4510	0.000	1	110.4510	0.000	1	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8545	0.006	2	110.8545	0.000	2	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7750	0.129	4	110.7750	0.017	4	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6460	0.104	22	110.6460	0.011	22	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.5937	0.942	98	110.5937	0.887	98	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6329	0.411	31	110.6329	0.169	31	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6612	0.087	4	110.6612	0.007	4	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7353	0.083	26	110.7353	0.007	26	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3475	2.467	2	111.3475	6.087	2	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6903	0.092	8	110.7231	0.243	737	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0425	0.849	2	110.7231	0.243	737	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8114	0.040	5	110.7231	0.243	737	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7220	0.497	722	110.7231	0.243	737	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	112.6295	2.265	2	112.6295	5.130	2	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8710	0.052	2	110.8710	0.003	2	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9330	0.030	2	110.9330	0.001	2	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8867	0.087	20	110.8867	0.008	20	110.7149	0.307	953	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0720	0.248	4	111.0720	0.062	4	111.0171	0.047	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8370	0.051	2	110.8370	0.003	2	111.0171	0.047	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1580	0.000	1	111.1580	0.000	1	111.0171	0.047	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH){1|P<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.3460	0.034	2	110.3460	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0845	4.164	2	111.0845	17.340	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0033	0.288	3	111.0033	0.083	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0705	0.029	2	111.0340	0.003	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9975	0.066	2	111.0340	0.003	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5675	0.077	4	111.5675	0.006	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1930	0.000	1	111.1930	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5062	0.121	4	111.5062	0.015	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0445	0.040	2	111.1472	0.008	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1985	0.051	4	111.1472	0.008	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2215	0.044	4	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2300	0.000	1	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2925	0.042	6	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1820	0.060	4	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0901	0.397	21	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1810	0.013	2	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2901	0.116	8	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1628	0.071	4	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1620	0.044	5	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8655	0.066	4	111.1542	0.069	59	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0180	0.000	1	111.0180	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	111.2885	0.161	2	111.2885	0.026	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7807	0.099	6	110.7807	0.010	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6605	0.021	2	110.6605	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0375	0.019	2	111.0075	0.022	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	110.8355	0.056	2	111.0075	0.022	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1495	0.067	2	111.0075	0.022	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6603	0.032	3	110.6603	0.001	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7120	0.000	1	110.8950	0.025	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9865	0.019	2	110.8950	0.025	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8265	0.005	2	111.0301	0.020	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0780	0.083	4	111.0301	0.020	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1380	0.052	2	111.0301	0.020	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9210	1.633	4	110.8819	1.149	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7515	0.016	2	110.8819	1.149	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9340	0.011	2	110.8819	1.149	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.2730	0.000	1	110.2730	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4775	0.037	2	111.5182	0.003	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{2|Br<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){4|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5590	0.018	2	111.5182	0.003	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2255	4.043	2	111.2255	16.342	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Se<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0320	0.162	4	111.0320	0.026	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7545	0.008	2	110.7545	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0023	0.354	4	111.0023	0.125	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0785	0.005	2	111.0785	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6194	3.518	20	110.6194	12.376	20	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9895	0.046	2	110.4852	0.447	12	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8990	0.083	6	110.4852	0.447	12	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	109.6123	0.317	4	110.4852	0.447	12	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9205	0.012	2	110.9205	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8932	0.049	4	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.6415	0.026	2	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1125	0.050	2	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	110.9565	0.044	4	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0613	0.036	3	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9470	0.057	3	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7600	0.058	2	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8936	0.130	5	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1770	0.018	2	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0415	0.097	4	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6650	0.007	2	110.9324	0.025	33	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9173	0.014	3	110.9173	0.000	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	112.2390	0.434	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	108.8460	1.066	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0655	0.026	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7447	0.249	7	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9862	0.454	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.7100	0.018	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8100	0.040	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	106.9900	0.000	1	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.4345	0.018	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.7380	0.017	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6900	0.020	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7015	0.009	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.6515	0.474	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0759	0.383	11	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	113.5938	4.875	6	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0009	0.077	7	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8215	0.085	12	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3035	0.057	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	116.8925	4.101	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1675	0.127	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9408	0.156	12	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	112.5365	1.607	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6287	4.337	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2720	0.054	2	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	109.8353	0.340	4	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9210	0.000	1	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9217	0.221	12	111.0827	3.036	117	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2500	0.025	2	111.1243	0.022	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9985	0.037	2	111.1243	0.022	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9408	0.050	4	110.9826	0.009	27	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0440	0.032	4	110.9826	0.009	27	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0370	0.078	11	110.9826	0.009	27	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.8981	0.085	8	110.9826	0.009	27	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2475	0.009	2	111.2475	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2740	0.021	2	111.1133	0.022	7	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0490	0.120	5	111.1133	0.022	7	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3280	0.018	2	111.3280	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2631	1.658	25	111.2631	2.749	25	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3790	2.640	2	111.3790	6.971	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4932	1.455	16	111.4932	2.116	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0528	0.100	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0628	1.806	6	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1445	0.013	2	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0012	0.053	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9153	0.054	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7357	0.107	10	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7613	0.091	12	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8020	0.046	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8085	0.030	2	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4193	0.666	6	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1750	0.000	1	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0790	0.000	1	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1784	0.309	8	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3713	0.634	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0722	0.063	8	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8470	0.153	4	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1030	0.021	2	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0815	0.005	2	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3380	0.040	2	111.0064	0.291	86	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8107	0.027	4	110.8933	0.017	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0585	0.009	2	110.8933	0.017	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7203	0.051	3	110.7203	0.003	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8145	0.149	4	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2080	0.057	2	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2580	0.077	3	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2010	0.014	2	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0360	0.216	11	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0865	0.008	2	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0695	0.009	2	111.0599	0.040	26	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8190	0.000	1	110.9783	0.019	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,3|C<3>,3|O<2>}	H(C[5]C[5,6a]C[5]H)	111.0580	0.023	2	110.9783	0.019	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8435	0.008	2	110.8863	0.018	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]C[5]H)	110.7940	0.036	3	110.8863	0.018	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7895	0.022	2	110.8863	0.018	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0717	0.044	3	110.8863	0.018	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8978	0.019	4	110.8300	0.011	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6945	0.028	2	110.8300	0.011	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6395	0.030	2	110.7580	0.019	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8765	0.022	2	110.7580	0.019	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	H(C[5]C[5,6a]C[5]H)	110.1070	1.129	2	110.1070	1.274	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1412	0.441	4	111.1412	0.194	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0765	0.012	2	111.0765	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0440	0.044	2	111.0440	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9230	0.000	1	110.9230	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8595	0.015	2	110.8595	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0825	0.006	2	111.0825	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9730	0.137	4	110.9730	0.019	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9693	0.069	4	110.9693	0.005	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0035	0.009	2	111.0035	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1280	0.004	2	111.1280	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.1525	0.996	2	110.1525	0.993	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7715	0.076	2	110.7715	0.006	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9925	0.013	2	110.9993	0.000	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0130	0.000	1	110.9993	0.000	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3590	0.031	2	111.3590	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8985	0.006	2	110.8985	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8130	0.017	2	110.5618	1.781	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.0605	2.855	2	110.5618	1.781	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8120	0.008	2	110.5618	1.781	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9690	0.021	2	110.9690	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7415	0.012	2	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0545	0.026	2	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4105	0.385	2	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2870	0.017	2	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1575	0.130	4	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1540	0.176	4	111.1396	0.054	16	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8905	0.006	2	110.9260	0.004	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9970	0.000	1	110.9260	0.004	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4125	2.245	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0807	0.080	8	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2830	0.035	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0180	0.044	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0737	0.169	8	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9755	0.015	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8070	0.035	8	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	108.9520	0.673	4	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9138	0.571	13	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	110.9030	0.020	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8389	0.021	8	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9620	0.018	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9815	0.021	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8372	0.022	4	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8450	0.018	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8855	0.005	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8400	0.035	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8665	0.110	24	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0985	0.059	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1055	1.027	13	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2895	3.565	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9285	0.144	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0885	0.023	4	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0897	0.114	6	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9168	0.173	4	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1093	0.137	8	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1410	0.014	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0260	0.010	2	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1203	0.149	7	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1139	0.197	10	110.9447	0.354	159	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1395	0.008	4	111.0602	0.846	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|N<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9015	2.039	2	111.0602	0.846	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.5705	2.955	2	110.7482	2.227	5	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8667	0.186	3	110.7482	2.227	5	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9875	0.022	2	111.1352	0.029	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2830	0.017	2	111.1352	0.029	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0715	0.043	2	111.0715	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	109.9905	5.471	2	109.9905	29.931	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0294	0.106	12	111.0294	0.011	12	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9010	0.014	2	110.9010	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1775	0.012	2	111.1775	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9110	0.000	1	110.9110	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2250	0.004	2	111.2250	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2644	1.206	28	111.2263	1.279	32	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8290	0.021	2	111.2263	1.279	32	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0910	0.017	2	111.2263	1.279	32	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9300	0.021	2	110.9300	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0320	0.006	2	111.0320	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3453	0.103	3	111.3453	0.011	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1530	0.016	2	111.1530	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|I<1>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2850	0.140	2	111.2850	0.020	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4490	0.029	4	111.4490	0.001	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3020	0.021	2	111.3020	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	112.2135	1.982	2	112.2135	3.928	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<5>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0230	0.006	2	111.2685	0.641	39	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0953	0.279	7	111.2685	0.641	39	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4767	1.012	22	111.2685	0.641	39	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0420	0.040	2	111.2685	0.641	39	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8645	0.023	6	111.2685	0.641	39	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9345	0.029	2	110.9345	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9645	0.026	2	110.9645	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5580	0.006	2	111.5580	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	113.9518	3.483	4	113.9518	12.135	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3575	0.021	2	111.3575	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	112.5486	2.478	8	112.2103	5.284	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8570	0.018	2	112.2103	5.284	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	112.0585	0.128	2	112.0585	0.016	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.6590	0.013	2	111.6590	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RhH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RhH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<5>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0230	0.037	2	111.0230	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7267	0.166	8	110.7080	0.023	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(H)2{1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6330	0.017	2	110.7080	0.023	10	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuP)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuP)(H)2{1|Ru<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3070	0.047	2	111.3070	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	H(C[5]C[5,6a]C[5]H)	111.0242	0.064	4	110.9805	0.007	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	H(C[5]C[5,6a]C[5]H)	110.8930	0.035	2	110.9805	0.007	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8084	0.059	5	110.8084	0.004	5	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4057	0.026	4	111.1802	0.123	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7290	0.025	2	111.1802	0.123	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.6430	0.000	1	110.6430	0.000	1	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7900	0.010	2	110.7900	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	112.4142	1.614	4	112.4142	2.605	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1125	0.022	2	111.1125	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.5640	0.013	2	110.5640	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9998	0.051	4	110.9692	0.004	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9080	0.017	2	110.9692	0.004	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9275	0.033	4	110.9275	0.001	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.7680	0.031	2	111.7680	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9419	0.160	8	110.9419	0.026	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4385	0.005	2	111.4385	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3395	0.029	2	111.3395	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3735	0.112	2	111.3735	0.013	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5]H)	110.7967	0.021	3	110.7967	0.000	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.6615	2.565	4	111.6615	6.581	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1418	0.205	6	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1126	0.162	10	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8660	0.000	1	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2236	0.074	5	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9655	0.031	4	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9120	0.000	1	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0542	0.043	4	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.8366	2.571	8	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8862	0.067	20	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1663	0.184	4	111.1275	0.846	63	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9730	0.061	2	110.9908	0.002	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0085	0.005	2	110.9908	0.002	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3040	0.034	2	111.7299	1.572	7	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4440	0.000	1	111.7299	1.572	7	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	112.0143	1.699	4	111.7299	1.572	7	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4790	0.049	2	111.4790	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6475	0.078	2	110.6475	0.006	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3425	0.021	2	111.3425	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3420	0.047	2	111.3420	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Al<4>,1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3377	0.049	4	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2700	0.057	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5530	0.062	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	112.0557	1.304	6	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1898	0.040	11	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4910	0.006	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0960	0.000	1	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7946	0.143	5	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	112.1847	0.646	6	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6748	2.550	4	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1938	0.138	6	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0150	0.000	1	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2335	0.026	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8395	0.005	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1192	0.124	13	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ir<8>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.7745	0.047	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0735	0.022	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9845	0.026	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1115	0.047	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9183	0.129	6	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1405	0.009	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1435	0.180	8	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0693	0.915	30	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2240	0.008	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2135	0.153	4	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Pd<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9095	0.060	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Re<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Re<5>,1|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9805	0.022	2	111.1843	0.538	131	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1475	2.501	2	111.1475	6.255	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9034	0.303	65	110.9034	0.092	65	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	110.8275	0.066	2	110.8275	0.004	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2455	0.021	2	111.2240	0.025	9	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2179	0.182	7	111.2240	0.025	9	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1903	0.092	4	111.1903	0.008	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<10>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<10>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.2894	0.122	17	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0799	0.120	40	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1576	0.120	19	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1377	0.062	6	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.1610	0.023	2	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<4>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	110.9975	0.029	2	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<6>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0080	0.101	6	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Sr<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Sr<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[5]C[5,6a]C[5]H)	111.0230	0.146	8	111.1249	0.021	100	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2925	0.016	2	111.2925	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4006	0.148	9	111.4006	0.022	9	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]H)	112.2125	1.921	2	111.5482	1.009	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2160	0.100	4	111.5482	1.009	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2057	0.074	3	111.2057	0.005	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0080	0.011	2	111.0080	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3845	0.042	2	111.1929	0.017	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1063	0.058	4	111.1929	0.017	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1745	0.071	2	111.1929	0.017	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1445	0.005	2	111.1445	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3645	0.019	2	111.3645	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]H)	111.5405	0.019	2	111.5405	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3790	0.022	4	111.3790	0.000	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3730	0.044	2	111.3730	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2725	0.064	2	111.2725	0.004	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9405	0.260	2	110.9405	0.067	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0115	0.091	2	111.0649	0.026	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1377	0.066	4	111.0649	0.026	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9725	0.346	2	111.0649	0.026	8	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5347	0.104	10	111.4482	0.014	23	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3596	0.088	5	111.4482	0.014	23	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4490	0.016	2	111.4482	0.014	23	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3777	0.096	6	111.4482	0.014	23	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3522	0.088	4	111.3522	0.008	4	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.6205	0.073	2	111.6205	0.005	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.4103	0.228	11	111.4103	0.052	11	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.9005	0.783	2	111.9005	0.613	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2{1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.2120	0.025	2	110.2120	0.001	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.3360	0.270	2	110.3360	0.073	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.0222	0.146	4	110.1060	0.030	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.2735	0.013	2	110.1060	0.030	6	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	109.9220	0.044	2	109.9220	0.002	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	113.5555	3.961	2	113.5555	15.686	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2{1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9210	0.016	2	110.9210	0.000	2	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	109.5940	0.024	3	109.5940	0.001	3	111.0910	0.910	1522	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9065	0.018	2	110.9065	0.000	2	111.0412	0.016	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1800	0.027	2	111.1800	0.001	2	111.0412	0.016	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0370	0.058	2	111.0370	0.003	2	111.0412	0.016	6	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7765	0.005	2	110.7765	0.000	2	110.9647	0.051	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2{5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1530	0.100	2	111.1530	0.010	2	110.9647	0.051	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8383	0.178	4	110.8383	0.032	4	111.0806	0.111	24	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9425	0.009	2	110.9025	0.013	13	111.0806	0.111	24	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8502	0.080	9	110.9025	0.013	13	111.0806	0.111	24	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0980	0.013	2	110.9025	0.013	13	111.0806	0.111	24	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.5497	0.143	7	111.5497	0.020	7	111.0806	0.111	24	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.0985	0.040	2	111.0985	0.002	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){4|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.0367	0.069	4	111.0367	0.005	4	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1220	0.018	2	110.3690	1.355	6	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8390	0.013	2	110.3690	1.355	6	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	109.1460	1.485	2	110.3690	1.355	6	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2870	0.047	2	111.2870	0.002	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3390	0.017	2	111.2364	0.005	8	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1990	0.054	4	111.2364	0.005	8	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2085	0.016	2	111.2364	0.005	8	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	112.4230	1.847	2	112.4230	3.411	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3445	0.052	2	111.3445	0.003	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3045	0.033	2	111.3045	0.001	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]H)	111.5300	0.014	2	111.5300	0.000	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|C<3>,2|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	113.0260	2.073	2	113.0260	4.298	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.4670	0.018	2	111.4670	0.000	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	109.9080	0.016	2	109.9080	0.000	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]H)	109.2145	2.317	2	109.2145	5.369	2	111.0910	1.218	38	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	110.7248	0.043	4	110.7248	0.002	4	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Cl<1>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2580	0.010	2	111.2302	0.001	4	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){2|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5]H)	111.2025	0.013	2	111.2302	0.001	4	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5]H)	110.9150	0.000	1	110.9150	0.000	1	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.3143	0.051	4	111.3143	0.003	4	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	109.8000	0.006	2	109.8000	0.000	2	110.9061	0.263	15	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.6160	0.000	1	110.6160	0.000	1	110.9440	0.081	3	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]H)	111.1080	0.007	2	111.1080	0.000	2	110.9440	0.081	3	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.6495	0.012	2	111.6495	0.000	2	111.6495	0.000	2	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	109.6476	3.264	8	109.6476	10.653	8	109.9093	8.590	10	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9560	0.059	2	110.9560	0.004	2	109.9093	8.590	10	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3909	0.084	12	111.3828	0.006	14	111.3828	0.006	14	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3340	0.007	2	111.3828	0.006	14	111.3828	0.006	14	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]O)	111.7837	0.196	3	111.7837	0.038	3	111.7837	0.038	3	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2{4|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){4|Cl<1>,1|C<3>,1|H<1>,1|N<4>,3|C<4>}	H(C[5]C[5,6a]N[5]H)	110.0520	0.041	4	110.0520	0.002	4	110.0520	0.002	4	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	110.6485	0.009	2	112.3990	5.904	4	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[5]C[5,6a]N[5]H)	114.1495	2.336	2	112.3990	5.904	4	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	110.6909	0.074	10	110.6909	0.005	10	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[5]H)	110.8122	0.052	6	110.8122	0.003	6	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]H)	110.8790	0.042	2	110.8790	0.002	2	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	H(C[5]C[5,6a]N[5]H)	110.8635	0.019	2	110.8635	0.000	2	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.1730	0.030	2	111.0655	0.010	6	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Si<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.0117	0.067	4	111.0655	0.010	6	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]H)	111.8185	0.009	2	111.8185	0.000	2	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]RuH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]RuH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Ru<6>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5]H)	111.0285	0.361	4	111.0285	0.130	4	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[5]C[5,6a]N[5]H)	109.7795	0.687	8	109.7795	0.473	8	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[5]C[5,6a]N[5]H)	109.8025	0.040	2	109.7287	0.017	3	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,4|C<4>}	H(C[5]C[5,6a]N[5]H)	109.5810	0.000	1	109.7287	0.017	3	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[5]C[5,6a]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[5]C[5,6a]N[5]H)	109.1195	0.006	2	109.1195	0.000	2	110.7075	1.076	49	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]BC)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]BC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]P[5]H)	110.3470	0.004	2	110.3470	0.000	2	110.4523	0.017	9	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]B)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]B)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]P[5]H)	110.4045	0.072	4	110.4045	0.005	4	110.4523	0.017	9	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]O)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]O)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]P[5]H)	110.6570	0.058	2	110.6570	0.003	2	110.4523	0.017	9	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|Pt<4>,1|H<1>,4|C<3>}	H(C[5]C[5,6a]P[5]H)	110.4450	0.000	1	110.4450	0.000	1	110.4523	0.017	9	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]P[5]H)	111.2420	0.017	2	110.9050	0.152	4	110.6929	0.146	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]P[5]H)	110.5680	0.031	2	110.9050	0.152	4	110.6929	0.146	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]FeC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[5]C[5,6a]P[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]FeC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH){1|Fe<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]P[5]H)	110.4100	0.008	3	110.4100	0.000	3	110.6929	0.146	7	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-4:F-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH)	H(C[5]C[5,6a]S[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH){1|C<3>,2|O<1>,4|H<1>}	H(C[5]C[5,6a]S[5]F)	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]S[5]H)	110.9629	0.191	7	110.9629	0.037	7	111.0734	0.057	10	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{1|F<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|F<1>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	111.4150	0.000	1	111.3313	0.006	3	111.0734	0.057	10	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,2|O<1>,3|H<1>}	H(C[5]C[5,6a]S[5]H)	111.2895	0.025	2	111.3313	0.006	3	111.0734	0.057	10	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:S[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH)	H(C[5]C[5,6a]S[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]S[5]HH){2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]S[5]H)	110.9924	0.176	8	110.9924	0.031	8	110.9924	0.031	8	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]Si[5]HH)	H(C[5]C[5,6a]Si[5]H)	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]Si[5]HH){1|Si<4>,1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5,6a]Si[5]H)	110.8984	0.144	11	110.8984	0.021	11	110.8984	0.021	11	110.9406	0.717	2767	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.5115	3.294	2	111.5115	10.853	2	111.5115	10.853	2	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2380	0.059	2	111.2380	0.004	2	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1373	0.083	3	111.0600	0.011	13	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.8815	0.018	2	111.0600	0.011	13	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9755	0.025	2	111.0600	0.011	13	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1077	0.057	4	111.0600	0.011	13	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.1115	0.005	2	111.0600	0.011	13	111.0837	0.014	15	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a])	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.3210	0.006	2	111.3210	0.000	2	111.3210	0.000	2	111.1537	0.635	19	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[3,5]H)	110.8255	0.047	2	111.0208	0.061	8	110.7548	0.624	12	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[3,5]H)	111.0858	0.254	6	111.0208	0.061	8	110.7548	0.624	12	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2{1|C<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[3,5]H)	111.1135	0.036	2	111.1135	0.001	2	110.7548	0.624	12	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[3,5]H)	109.3325	1.252	2	109.3325	1.568	2	110.7548	0.624	12	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.9470	0.000	1	107.2014	0.507	5	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.0150	0.667	4	107.2014	0.507	5	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6a]C[5,5]Br)	111.1420	0.000	1	111.1420	0.000	1	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6a]C[5,5]Br)	110.9750	0.000	1	111.5327	0.255	3	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[5]C[5,6a]C[5,5]Br)	111.6650	0.000	1	111.5327	0.255	3	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]Br)	111.9580	0.000	1	111.5327	0.255	3	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5,5]Br)	110.5140	0.474	2	110.5140	0.224	2	109.3432	4.606	11	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[5,6a]C[5,5]H)	110.8317	0.033	3	110.8317	0.001	3	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9260	0.000	1	110.9260	0.000	1	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	110.9872	0.083	6	110.9355	0.013	37	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9253	0.123	27	110.9355	0.013	37	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9565	0.009	2	110.9355	0.013	37	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8980	0.068	2	110.9355	0.013	37	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	113.5150	1.724	2	112.3620	5.587	5	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[5,6a]C[5,5]H)	111.7860	3.837	2	112.3620	5.587	5	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2080	0.000	1	112.3620	5.587	5	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.0930	0.008	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.0680	0.041	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.3325	0.022	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.0650	0.023	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8670	0.004	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.2210	0.068	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.2606	0.074	8	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7595	0.030	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7360	0.624	2	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8582	0.155	4	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.4048	1.582	4	111.1069	0.309	32	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7115	0.022	2	110.7115	0.000	2	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[5]C[5,6a]C[5,5]H)	110.9370	0.110	3	110.9370	0.012	3	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8415	0.037	2	110.8317	0.010	9	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.6710	0.014	2	110.8317	0.010	9	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9210	0.000	1	110.8317	0.010	9	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8425	0.043	2	110.8317	0.010	9	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9270	0.014	2	110.8317	0.010	9	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9450	0.050	7	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.5805	0.329	2	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8206	0.195	16	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.6175	1.293	2	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9190	0.057	3	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9265	0.012	2	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.2276	1.110	34	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9485	0.053	4	111.0612	0.670	70	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	112.8515	1.741	4	112.8515	3.030	4	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.0560	0.277	4	110.8981	0.049	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|N<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8920	0.028	2	110.8981	0.049	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7433	0.063	4	110.8981	0.049	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.2540	0.000	1	111.2540	0.000	1	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8365	0.016	2	110.8365	0.000	2	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.1540	0.004	2	111.1375	0.000	4	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	111.1210	0.006	2	111.1375	0.000	4	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8435	0.015	2	110.8435	0.000	2	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8377	0.059	4	110.8377	0.003	4	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	109.8815	0.056	2	110.6203	0.160	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7765	0.035	2	110.6203	0.160	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8425	0.008	2	110.6203	0.160	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.6770	0.034	2	110.6203	0.160	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9240	0.008	2	110.6203	0.160	10	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.7665	0.018	2	110.7665	0.000	2	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.2295	0.026	2	111.2295	0.001	2	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1655	0.040	4	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1588	0.122	5	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9546	0.189	7	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8875	0.019	2	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1740	0.000	1	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.3275	0.023	2	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1655	0.034	4	111.0962	0.028	25	111.0604	0.512	228	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]Ru)(H)2	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]Ru)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.1887	0.051	4	111.1887	0.003	4	111.1887	0.003	4	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0995	0.036	2	111.0995	0.001	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0033	0.161	3	111.0033	0.026	3	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	112.0905	2.588	4	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0018	0.102	4	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.7100	0.008	2	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0422	0.172	4	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1075	0.005	2	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1355	0.015	2	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9890	0.000	1	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3920	0.018	2	111.2484	1.211	21	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8695	0.029	2	110.8695	0.001	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.5740	2.189	2	110.5740	4.793	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	112.6355	1.009	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1475	0.051	6	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2360	0.033	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0162	0.107	10	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3170	0.011	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9720	0.037	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3360	0.010	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1660	0.000	1	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[5]C[5,6a]C[5,6]H)	111.6160	1.479	4	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.4447	0.030	4	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3165	0.035	2	111.2995	0.359	37	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2215	0.036	2	110.9851	0.103	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3155	0.018	4	110.9851	0.103	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.6363	0.050	6	110.9851	0.103	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1340	0.027	2	110.9851	0.103	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1328	0.078	8	111.1046	0.008	10	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9920	0.011	2	111.1046	0.008	10	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0770	0.017	2	111.0770	0.000	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8670	0.027	6	110.8974	0.010	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.7555	0.018	2	110.8974	0.010	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0265	0.051	4	110.8974	0.010	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8720	0.013	2	110.8974	0.010	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1340	0.006	2	111.1340	0.000	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3105	0.226	6	111.2297	0.059	8	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9875	0.059	2	111.2297	0.059	8	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.4205	1.480	2	111.0155	2.796	4	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.6105	2.354	2	111.0155	2.796	4	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3282	0.177	6	111.3165	0.020	15	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3687	0.031	7	111.3165	0.020	15	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0985	0.045	2	111.3165	0.020	15	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9560	0.079	4	110.9560	0.006	4	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.1920	1.217	4	111.1920	1.482	4	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.7515	0.439	2	110.7515	0.193	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1720	0.121	4	111.1720	0.015	4	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.2740	0.052	2	110.2740	0.003	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5,6]H)	111.2520	0.018	3	111.3231	0.006	7	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3765	0.060	4	111.3231	0.006	7	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3565	0.022	2	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1200	0.033	2	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.0870	1.885	2	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.7833	2.048	4	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2715	0.011	2	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.7535	1.073	2	111.4507	1.421	14	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1165	0.013	2	111.1165	0.000	2	111.1714	0.477	175	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]Br)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:N[4,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[4,5]B[5,5a]C[4]2)(H)2	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[4,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[4,5]B[5,5a]C[4]2)(H)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[4,5]H)	110.7900	0.047	4	110.7900	0.002	4	110.7900	0.002	4	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5,5]H)	110.9147	0.050	3	110.9147	0.003	3	111.1217	0.054	6	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5,5]H)	111.3287	0.068	3	111.3287	0.005	3	111.1217	0.054	6	111.0482	0.665	441	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C-4:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]N[5]C)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	110.1440	0.000	1	110.1440	0.000	1	109.1440	0.755	3	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[5]C[5,6a]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]O[5]C)	108.6440	0.102	2	108.6440	0.010	2	109.1440	0.755	3	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.4180	0.000	1	108.4180	0.000	1	108.7458	0.098	4	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.1240	0.000	1	109.1240	0.000	1	108.7458	0.098	4	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.5750	0.000	1	108.5750	0.000	1	108.7458	0.098	4	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.8660	0.000	1	108.8660	0.000	1	108.7458	0.098	4	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	108.4410	0.000	1	108.4410	0.000	1	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	109.1070	0.000	1	109.1070	0.000	1	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	109.6970	0.000	1	109.3567	0.900	3	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	109.1865	1.275	2	109.3567	0.900	3	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	108.1020	0.000	1	108.1020	0.000	1	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	109.8180	0.000	1	109.8180	0.000	1	109.0769	0.656	7	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	108.6050	0.000	1	108.6050	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	111.5080	0.000	1	111.5080	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.0440	0.000	1	109.0440	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	107.7835	0.325	2	107.7835	0.105	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|Br<1>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	112.0150	0.000	1	112.0150	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	113.8940	0.000	1	113.8940	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	109.0282	0.290	6	109.0282	0.084	6	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	110.6750	0.000	1	110.1580	0.320	4	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]O)	109.9430	0.769	2	110.1580	0.320	4	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.0710	0.000	1	110.1580	0.320	4	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.8940	0.000	1	110.2745	0.768	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.6550	0.000	1	110.2745	0.768	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	110.2770	0.062	2	110.2770	0.004	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.5450	0.000	1	109.4602	0.218	6	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.8920	0.283	2	109.4602	0.218	6	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	108.9565	0.344	2	109.4602	0.218	6	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.5190	0.000	1	109.4602	0.218	6	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	111.8000	0.000	1	111.8000	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	112.1415	0.248	2	112.1415	0.062	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	110.0740	0.000	1	110.0740	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]O)	110.3890	0.000	1	110.3890	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]O)	107.8200	0.000	1	107.8200	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	108.2760	0.000	1	108.2760	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	111.2530	0.000	1	110.2106	1.089	8	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	109.7655	0.295	2	110.2106	1.089	8	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	109.6315	0.093	4	110.2106	1.089	8	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	112.3750	0.000	1	110.2106	1.089	8	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	109.6920	0.000	1	109.6920	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	112.5510	0.000	1	112.5510	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.4050	0.952	2	110.4050	0.906	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	107.7610	0.000	1	107.7610	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	109.7000	0.000	1	109.7000	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	111.2660	0.000	1	111.2660	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	108.8470	0.000	1	108.8470	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	111.5060	0.000	1	111.5060	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	110.6850	0.000	1	110.6850	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	110.5490	0.277	2	110.5490	0.077	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]O)	108.9220	0.000	1	108.9220	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	110.9420	0.000	1	110.9420	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.2610	0.000	1	110.2610	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	114.5035	0.930	2	114.5035	0.865	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	112.2650	0.297	2	112.2230	0.053	4	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	112.1810	0.253	2	112.2230	0.053	4	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	109.8950	0.000	1	109.8950	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	111.1770	0.000	1	110.5473	0.378	3	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]O)	110.5170	0.000	1	110.5473	0.378	3	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]O)	109.9480	0.000	1	110.5473	0.378	3	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.9400	0.000	1	110.9400	0.000	1	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){4|C<3>}	H(C[5]C[5,6a]C[5]O)	109.4920	1.179	2	109.4920	1.391	2	110.3004	2.240	70	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]S)	107.7373	0.247	3	107.7373	0.061	3	108.4090	2.485	5	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]S)	107.6230	0.000	1	107.6230	0.000	1	108.4090	2.485	5	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]S)	111.2100	0.000	1	111.2100	0.000	1	108.4090	2.485	5	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:O-2:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[5]C[5,6a]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]N[5]O)	111.0810	0.129	2	111.0810	0.017	2	111.0810	0.017	2	110.0164	2.291	94	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]O)	111.0489	0.710	14	111.0943	0.499	15	111.0943	0.499	15	111.0943	0.499	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:2:	4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]O)	111.7310	0.000	1	111.0943	0.499	15	111.0943	0.499	15	111.0943	0.499	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,5,6]C[5,6a]O)	110.3910	0.000	1	110.3910	0.000	1	109.0663	1.462	3	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	H(C[5]C[5,5,6]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,6a]O)	108.4040	0.540	2	108.4040	0.292	2	109.0663	1.462	3	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]N)	110.7800	0.000	1	110.7800	0.000	1	110.7800	0.000	1	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,5]O)	107.5670	0.000	1	107.5670	0.000	1	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]O)	108.0720	0.000	1	108.3520	0.157	2	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]O)	108.6320	0.000	1	108.3520	0.157	2	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5,5]O)	110.5105	0.097	2	110.5105	0.009	2	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]O)	110.6967	0.737	3	110.7758	0.387	4	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5]O)	111.0130	0.000	1	110.7758	0.387	4	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]O)	116.0895	0.814	2	116.0895	0.662	2	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]O)	107.2940	0.928	2	107.2940	0.861	2	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]O)	109.5180	0.000	1	109.5180	0.000	1	110.3343	8.047	14	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6]O)	111.1980	0.000	1	111.1980	0.000	1	109.4554	0.480	9	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]O)	108.9250	0.000	1	108.9250	0.000	1	109.4554	0.480	9	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5,6]O)	109.2823	0.228	7	109.2823	0.052	7	109.4554	0.480	9	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]O[5])	111.3940	0.000	1	111.3940	0.000	1	110.8060	0.691	2	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]O[5])	110.2180	0.000	1	110.2180	0.000	1	110.8060	0.691	2	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[5]C[5,6a]C[6]O[5])	109.2548	0.834	4	109.2548	0.695	4	109.2946	0.529	5	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:2:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[6]O[5])	109.4540	0.000	1	109.4540	0.000	1	109.2946	0.529	5	109.8777	3.785	34	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:B-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[5]C[5,6a]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(BC[6a]2N[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]B)	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5]C)	109.2090	0.027	2	110.1380	2.589	3	110.1380	2.589	3	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]C)	111.9960	0.000	1	110.1380	2.589	3	110.1380	2.589	3	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.4260	0.000	1	110.4260	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.6470	0.000	1	108.6470	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	113.3310	0.000	1	113.3310	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.6595	0.415	2	108.5883	0.101	3	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.4460	0.000	1	108.5883	0.101	3	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H){1|I<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	109.7210	0.844	2	109.7210	0.713	2	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	107.8940	0.000	1	107.8940	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.7750	1.707	2	109.1673	1.919	3	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	109.9520	0.000	1	109.1673	1.919	3	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.3220	0.000	1	108.3220	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3415	0.350	2	109.3415	0.123	2	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	111.3680	0.000	1	111.3680	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.2820	0.680	2	109.2820	0.463	2	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.8010	0.000	1	108.9690	0.659	4	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3010	0.373	2	108.9690	0.659	4	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.4730	0.000	1	108.9690	0.659	4	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.7835	0.218	2	110.7835	0.048	2	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	110.4595	0.309	2	109.6890	0.471	6	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.9970	0.000	1	109.6890	0.471	6	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	109.1140	0.000	1	109.6890	0.471	6	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.5520	0.474	2	109.6890	0.471	6	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.7700	0.000	1	110.7700	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.2060	0.000	1	110.2060	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8670	0.000	1	109.8670	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5]C)	110.8210	0.239	2	110.8210	0.057	2	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8250	0.000	1	109.8250	0.000	1	109.6620	1.317	36	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.7730	0.000	1	110.7730	0.000	1	110.7730	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	110.7130	0.298	2	110.7130	0.089	2	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	108.9410	0.000	1	108.4290	0.524	2	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.9170	0.000	1	108.4290	0.524	2	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	112.6930	0.243	2	112.6930	0.059	2	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	109.8460	0.000	2	110.1052	6.376	5	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	109.7260	0.000	1	110.1052	6.376	5	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.0310	0.000	1	110.1052	6.376	5	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	114.0770	0.000	1	110.1052	6.376	5	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]2)	109.3600	0.000	1	109.3600	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	106.8360	0.000	1	107.6310	0.487	4	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	107.2860	0.000	1	107.6310	0.487	4	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	108.2010	0.243	2	107.6310	0.487	4	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]2)	108.4750	0.000	1	108.4750	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	109.1560	0.000	1	109.1560	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]2)	106.8090	0.000	1	106.8090	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	106.9980	0.000	1	106.9980	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	108.6170	0.000	1	108.6170	0.000	1	109.2445	4.158	21	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	H(C[5]C[5,6a]C[6a]C[5])	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.6630	0.000	1	109.1287	0.246	3	109.1287	0.246	3	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.6830	0.000	1	109.1287	0.246	3	109.1287	0.246	3	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.0400	0.000	1	109.1287	0.246	3	109.1287	0.246	3	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	108.9955	0.084	2	108.9955	0.007	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	109.0570	0.874	2	109.0107	0.388	3	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	108.9180	0.000	1	109.0107	0.388	3	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|F<1>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	106.9650	0.000	1	106.9650	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N)	112.2340	0.000	1	112.2340	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	107.0710	0.000	1	107.0710	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N)	108.8480	1.555	3	108.8480	2.417	3	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	106.4650	0.000	1	106.4650	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N)	108.4130	0.000	1	108.4130	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	109.8995	0.221	2	109.8995	0.049	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|I<1>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	111.4060	0.000	1	111.4060	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	109.1643	1.194	7	109.1643	1.426	7	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	109.1780	0.000	1	109.1780	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	108.2600	0.438	2	108.2600	0.192	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	110.2310	0.000	1	110.2310	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H){1|Cl<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	112.4715	0.180	2	112.4715	0.033	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]N)	107.8050	1.213	2	107.8050	1.472	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	111.7250	0.000	1	111.7250	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	109.6030	0.000	1	109.6030	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H){1|Br<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	110.9050	0.000	1	110.9050	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]N)	113.4750	0.000	1	113.4750	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	109.1160	0.000	1	109.1160	0.000	1	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	109.2735	0.166	4	109.3448	0.046	5	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]N)	109.6300	0.000	1	109.3448	0.046	5	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	109.3220	0.000	1	109.3795	0.007	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5]N)	109.4370	0.000	1	109.3795	0.007	2	109.4153	2.462	43	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	109.7540	0.000	1	109.7540	0.000	1	111.7905	8.295	2	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]O)	113.8270	0.000	1	113.8270	0.000	1	111.7905	8.295	2	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	H(C[5]C[5,6a]C[5]P)	110.2090	0.000	1	110.2090	0.000	1	110.3935	0.068	2	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]P)	110.5780	0.000	1	110.5780	0.000	1	110.3935	0.068	2	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,2|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]S)	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(P[5]N[5,6]OO)(CC[6a]O)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH)	H(C[5]C[5,6a]P[5]C)	C[5](C[5,6a]C[5,6,6a]C[6a])(P[5]N[5,6]OO)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]P[5]C)	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	109.5726	2.361	118	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:2:	4:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	110.4762	0.616	4	110.4762	0.380	4	109.9656	0.532	8	109.9656	0.532	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:2:	4:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	109.4550	0.408	4	109.4550	0.167	4	109.9656	0.532	8	109.9656	0.532	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[3,5]C[6a])	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H){1|N<3>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[3,5]N)	108.1260	0.813	2	108.1260	0.661	2	108.1260	0.661	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H){1|Cl<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[3]C[5])	107.9080	0.000	1	107.9080	0.000	1	108.7200	1.319	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[3]C[5])	109.5320	0.000	1	109.5320	0.000	1	108.7200	1.319	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,5]C[5])	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.2980	0.344	2	109.2980	0.118	2	109.2980	0.118	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(NCC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(NCC)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]N)	109.5830	0.000	1	109.5830	0.000	1	109.0887	0.487	6	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5,5]N)	107.9570	0.000	1	107.9570	0.000	1	109.0887	0.487	6	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]N)	109.6240	0.000	1	109.6240	0.000	1	109.0887	0.487	6	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,5]N)	109.1227	0.558	3	109.1227	0.311	3	109.0887	0.487	6	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C)	108.9480	0.192	2	108.9480	0.037	2	108.1054	1.428	5	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6]C)	108.9810	0.000	1	108.9810	0.000	1	108.1054	1.428	5	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.8250	0.460	2	106.8250	0.211	2	108.1054	1.428	5	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C[6a])	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6]N)	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]B[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	H(C[5]C[5,6a]B[5]C[5])	109.1140	0.406	2	109.1140	0.165	2	109.6817	1.049	3	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]B[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]B[5]C[5])	110.8170	0.000	1	110.8170	0.000	1	109.6817	1.049	3	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	109.7875	0.957	2	109.7875	0.915	2	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.2730	1.131	3	108.2730	1.280	3	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.1400	0.000	1	108.1400	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[5,6a]C[6a]C[5])	108.7790	0.000	1	108.7790	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	106.2260	0.000	1	106.2260	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.9250	0.000	1	109.9250	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.4790	0.000	1	108.4790	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.4510	0.000	1	107.4510	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2780	0.028	2	108.2780	0.001	2	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6a]C[5])	108.5060	0.000	1	107.7630	0.354	5	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.2705	0.363	2	107.7630	0.354	5	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.5530	0.000	1	107.7630	0.354	5	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	108.2150	0.000	1	107.7630	0.354	5	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2250	0.000	1	109.2250	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	107.0035	0.198	4	107.0035	0.039	4	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[6a]C[5])	109.2250	0.000	1	109.2250	0.000	1	108.1345	1.157	24	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.6980	0.000	1	108.6980	0.000	1	109.2338	1.440	9	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N[5])	109.1285	1.385	4	109.1285	1.919	4	109.2338	1.440	9	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]N[5])	111.4400	0.000	1	111.4400	0.000	1	109.2338	1.440	9	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.9620	0.000	1	108.9620	0.000	1	109.2338	1.440	9	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]N[5])	108.7450	0.109	2	108.7450	0.012	2	109.2338	1.440	9	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]N[6])	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5]C[6]2)(C[5]C[5]H)(H){1|Fe<10>,2|C<3>,4|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	107.3930	0.000	1	107.3930	0.000	1	108.1543	0.396	8	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H){1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	108.3227	0.712	4	108.3227	0.508	4	108.1543	0.396	8	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]C[6])	108.4720	0.235	2	108.4720	0.055	2	108.1543	0.396	8	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C[6])	107.6060	0.000	1	107.6060	0.000	1	108.1543	0.396	8	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[6]N[5])	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[5]N[5])	106.3750	0.885	2	106.3750	0.784	2	106.3750	0.784	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[6]N[5])	106.2440	0.000	1	106.0490	0.076	2	106.0490	0.076	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[5]C[5,6a]C[6]N[5])	105.8540	0.000	1	106.0490	0.076	2	106.0490	0.076	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:P[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]P[6])	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]P[6])	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]Si[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]Si[5]C[5])	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[6a]Si[5])	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[5]C[5,6a]C[6a]Si[5])	106.1960	0.368	2	106.1960	0.135	2	106.1960	0.135	2	108.4268	1.773	76	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C[5a])	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.4330	0.000	1	109.4330	0.000	1	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.7890	0.000	1	107.7890	0.000	1	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3080	0.000	1	108.3405	0.002	2	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.3730	0.000	1	108.3405	0.002	2	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.2790	0.000	1	108.2790	0.000	1	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.0850	0.000	1	109.0850	0.000	1	108.5445	0.362	6	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	108.5187	0.648	8	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:2:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	105.7270	0.209	2	105.7270	0.044	2	105.7270	0.044	2	105.7270	0.044	2	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	108.9115	0.088	2	108.9115	0.008	2	108.9115	0.008	2	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6a]C[5]C)	107.7630	0.000	1	107.7630	0.000	1	109.1300	1.403	3	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.7730	0.000	1	109.7730	0.000	1	109.1300	1.403	3	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8540	0.000	1	109.8540	0.000	1	109.1300	1.403	3	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.6895	0.747	2	108.6895	0.559	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.2570	0.000	1	109.2570	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	106.9880	0.000	1	106.9880	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.2383	0.374	3	110.2383	0.140	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.0380	0.000	1	109.0380	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	107.9470	0.000	1	108.1717	1.807	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.6140	0.000	1	108.1717	1.807	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]C)	106.9540	0.000	1	108.1717	1.807	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.7405	1.578	2	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.9740	0.398	3	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8740	0.027	2	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	110.7170	5.664	2	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	107.9955	0.124	2	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6565	1.525	2	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.5630	0.000	1	109.6037	3.728	14	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.2230	0.000	1	108.2230	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	110.5830	0.000	1	110.5830	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.3120	0.000	1	107.4050	1.645	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5]C)	106.4980	0.000	1	107.4050	1.645	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	108.2445	0.343	2	108.2445	0.118	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	109.0770	0.000	1	109.0770	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8310	0.000	1	109.8310	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	107.7930	0.000	1	107.7930	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.8320	0.000	1	109.0700	0.179	4	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.1493	0.481	3	109.0700	0.179	4	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	107.3750	0.000	1	107.3750	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.2560	0.000	1	109.2560	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3320	0.598	5	109.8044	0.967	8	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.5917	1.087	3	109.8044	0.967	8	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.4680	0.000	1	110.4680	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	108.6790	0.000	1	108.6790	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]C)	111.2440	0.000	1	111.2440	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.5580	0.000	1	107.5580	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	107.1250	0.000	1	108.6540	4.676	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	110.1830	0.000	1	108.6540	4.676	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.5230	0.000	1	108.5230	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Pd<5>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	107.7165	0.057	2	107.7165	0.003	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	110.1180	0.000	1	110.1180	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.3900	0.000	1	109.3900	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	110.5360	0.540	2	110.5360	0.292	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	107.5050	0.000	1	107.5050	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	108.6985	0.739	2	108.6985	0.546	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6850	0.000	1	110.6850	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	111.0950	0.000	1	111.0950	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]C)	109.7420	0.000	1	109.7420	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	108.7460	0.000	1	108.7460	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.0070	0.000	1	107.8427	1.341	7	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	107.9820	1.202	6	107.8427	1.341	7	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	109.5865	0.161	2	109.5865	0.026	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6240	0.000	1	110.6240	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.0323	0.574	3	109.0323	0.329	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.7360	0.000	1	109.7360	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	110.5845	0.018	2	110.5845	0.000	2	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	111.3160	0.000	1	111.3160	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	110.9580	0.000	1	110.9580	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.4930	0.000	1	109.4930	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8260	0.000	1	109.8260	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6860	0.000	1	110.6860	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C)	109.8950	0.491	3	109.8950	0.241	3	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]C[5]C)	113.4990	0.000	1	113.4990	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5]C)	107.4590	0.000	1	107.4590	0.000	1	109.2668	2.057	94	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]C)	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	H(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]C)	110.6050	0.976	2	110.6050	0.952	2	110.6050	0.952	2	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	109.2505	0.192	2	109.2505	0.037	2	108.1861	0.836	8	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	107.5840	0.222	2	107.5840	0.049	2	108.1861	0.836	8	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	108.0415	1.494	2	107.9550	0.853	4	108.1861	0.836	8	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	107.8685	0.544	2	107.9550	0.853	4	108.1861	0.836	8	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]2)	107.5550	0.765	2	107.5550	0.585	2	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]2)	109.3360	0.784	4	109.3360	0.615	4	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	109.7580	0.833	4	109.6557	0.444	6	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	109.4510	0.117	2	109.6557	0.444	6	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	109.0250	0.365	4	109.0250	0.133	4	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]2)	109.6530	0.000	1	109.6530	0.000	1	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]2)	109.1760	0.000	1	107.2197	2.873	3	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6a]C[5]2)	106.2415	0.074	2	107.2197	2.873	3	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[5]C[5,6a]C[5]2)	108.5983	1.272	4	108.5983	1.618	4	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[5]C[5,6a]C[5]2)	108.6610	0.000	1	108.6610	0.000	1	108.8342	1.370	25	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN){1|N<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5]N)	108.9570	0.669	5	108.9570	0.448	5	108.9570	0.448	5	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N)	110.0700	0.000	1	110.0700	0.000	1	108.8950	1.039	3	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[5]C[5,6a]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[5]C[5,6a]C[5]N)	108.3075	0.087	2	108.3075	0.008	2	108.8950	1.039	3	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(PC[6a]2Ru)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	H(C[5]C[5,6a]C[5]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(PC[6a]2Ru)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6a]C[5]P)	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5]S)	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]N[5]C)	106.7670	0.000	1	107.0204	0.104	7	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5]C)	106.8070	0.277	2	107.0204	0.104	7	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5]C)	107.1880	0.371	3	107.0204	0.104	7	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5]C)	107.1980	0.000	1	107.0204	0.104	7	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5]C)	107.6230	0.000	1	107.6230	0.000	1	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[5]C[5,6a]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5]C)	109.1530	0.000	1	109.1530	0.000	1	107.3243	0.588	9	109.0164	1.886	154	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[3,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[3,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	H(C[5]C[5,6a]C[3,5]C)	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C)	107.6704	0.281	7	107.5324	0.220	8	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C)	106.5660	0.000	1	107.5324	0.220	8	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]C)	108.5220	0.000	1	108.5220	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]C)	108.5190	0.000	2	108.5190	0.000	2	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C)	109.8330	0.000	1	109.8330	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C)	106.4970	0.000	1	107.4140	1.682	2	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.3310	0.000	1	107.4140	1.682	2	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.1560	0.000	1	108.1560	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5,5]C)	107.8390	0.000	1	107.8390	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C)	107.9770	0.000	1	107.9770	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C)	107.7050	0.000	1	107.7050	0.000	1	107.8976	0.575	18	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]C)	106.8920	0.000	1	106.8920	0.000	1	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C)	107.5530	0.000	1	107.5530	0.000	1	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]C)	109.0235	0.062	2	109.0235	0.004	2	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C)	107.5960	0.057	2	107.5960	0.003	2	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]C)	108.7310	0.000	2	108.7310	0.000	2	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.8680	0.000	1	106.8680	0.000	1	108.0016	0.776	9	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5,6]C[5])	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5]C[6])	109.3080	0.000	1	109.3080	0.000	1	110.4325	2.529	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5]C[6])	111.5570	0.000	1	111.5570	0.000	1	110.4325	2.529	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[4])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[5,6a]C[5]N[4])	109.6925	0.064	2	109.6925	0.004	2	109.6925	0.004	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Ru<6>,1|N<4>,2|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N[5])	110.5920	0.574	2	110.5920	0.330	2	110.5920	0.330	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:C[5]-4:P[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5]P[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H){1|Fe<4>,1|C<4>,1|P<4>,2|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5]P[5])	107.5405	0.078	2	107.5405	0.006	2	107.5405	0.006	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]N[5]Si)	107.3815	1.770	2	107.3815	3.133	2	107.3815	3.133	2	108.2779	1.379	39	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[5]B[5,6a]C[5,6a]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5]B[5,6a]C[5,6a]N[6])	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:5:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-5:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9105	0.043	2	110.9105	0.002	2	110.9230	0.001	4	110.9230	0.001	4	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	3:5:1:1:	3:3:4:	4:	C[5,6a]-3:C[5]-5:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru3)(H)2{1|Ru<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5]H)	110.9355	0.030	2	110.9355	0.001	2	110.9230	0.001	4	110.9230	0.001	4	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	110.7952	0.387	6	110.7952	0.150	6	110.7952	0.150	6	110.9832	0.104	14	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	110.8315	0.028	2	110.8315	0.001	2	110.8315	0.001	2	110.9832	0.104	14	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.1963	0.043	3	111.1963	0.002	3	111.1963	0.002	3	110.9832	0.104	14	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[5]C[5,6a]C[5]H)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5]H)	111.2473	0.025	3	111.2473	0.001	3	111.2473	0.001	3	110.9832	0.104	14	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	111.3180	0.023	4	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a])	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.3920	0.034	3	111.3920	0.001	3	111.3920	0.001	3	111.3180	0.023	4	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[3,5]H)	111.1627	0.412	3	111.1627	0.170	3	110.9521	0.071	9	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2{3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[3,5]H)	110.7950	0.016	2	110.7950	0.000	2	110.9521	0.071	9	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[5,6a]C[3,5]H)	110.8727	0.076	4	110.8727	0.006	4	110.9521	0.071	9	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[3x5]H)	110.7880	0.235	8	110.7880	0.055	8	110.9097	0.068	12	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[3x5]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3x5]H)	111.1530	0.038	4	111.1530	0.001	4	110.9097	0.068	12	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[4,5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	H(C[5]C[4,5,5]C[5,6a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[4,5,5]C[5,6a]H)	110.8858	0.014	4	110.8858	0.000	4	110.8858	0.000	4	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[4,5]H)	111.1120	0.000	1	111.0647	0.002	3	111.0647	0.002	3	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[4,5]H)	111.0410	0.013	2	111.0647	0.002	3	111.0647	0.002	3	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,3x6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	H(C[5]C[5,3x6]C[5,6a]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[5]C[5,3x6]C[5,6a]H)	110.6230	0.307	2	110.6230	0.094	2	110.6230	0.094	2	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5,6]C[5,6a]H)	111.0240	0.031	2	111.0240	0.001	2	111.0734	0.040	12	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[5]C[5,5,6]C[5,6a]H)	111.0585	0.241	8	111.0833	0.048	10	111.0734	0.040	12	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,5,6]C[5,6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,5,6]C[5,6a]H)	111.1825	0.037	2	111.0833	0.048	10	111.0734	0.040	12	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]Br)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]Br)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5,5]H)	111.1277	0.176	4	111.1277	0.031	4	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.6835	0.011	2	110.6835	0.000	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2915	0.030	2	111.2915	0.001	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.8655	0.011	2	110.8655	0.000	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	111.1345	0.009	2	111.1345	0.000	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2390	0.018	2	111.2783	0.015	6	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.2980	0.155	4	111.2783	0.015	6	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]H)	111.0365	0.015	2	111.0365	0.000	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]H)	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]H)	110.9245	0.008	2	110.9245	0.000	2	111.0933	0.046	22	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	111.6950	1.254	2	111.2082	0.841	4	111.2082	0.841	4	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	110.7215	0.018	2	111.2082	0.841	4	111.2082	0.841	4	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	113.5665	2.047	2	113.5665	4.191	2	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	110.8215	0.021	2	110.8215	0.000	2	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	112.2373	2.026	4	111.6804	2.171	8	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	111.4010	0.146	2	111.6804	2.171	8	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	110.8460	0.270	2	111.6804	2.171	8	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	111.1615	0.006	4	111.1615	0.000	4	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	110.4445	0.027	4	110.4445	0.001	4	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	111.2925	0.052	2	111.2923	0.001	3	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6,6]C[5,6a]H)	111.2920	0.000	1	111.2923	0.001	3	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6,6]C[5,6a]H)	110.6535	0.033	2	110.6535	0.001	2	111.3531	1.461	25	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2018	0.033	4	111.2018	0.001	4	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.9264	0.183	26	110.9264	0.033	26	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.8285	0.111	4	110.8285	0.012	4	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.4980	0.030	2	111.4980	0.001	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1303	0.057	3	110.9710	0.050	5	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	110.7320	0.035	2	110.9710	0.050	5	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.8030	0.000	1	111.8030	0.000	1	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.8115	0.076	2	111.8115	0.006	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.1750	0.006	2	111.1750	0.000	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.4390	0.033	2	111.4390	0.001	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.1205	0.019	4	111.1205	0.000	4	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.3740	0.028	2	111.3740	0.001	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.0455	0.025	2	111.0455	0.001	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.2202	0.079	5	111.1779	0.010	7	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.0720	0.041	2	111.1779	0.010	7	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.2388	0.066	5	111.2388	0.004	5	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5,6]H)	111.1585	0.073	2	111.1585	0.005	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	110.9530	3.113	2	110.9530	9.689	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	111.2750	0.000	1	111.2750	0.000	1	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,6]H)	110.7405	0.061	4	110.7405	0.004	4	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]H)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]H)	111.2510	0.061	2	111.2510	0.004	2	111.0815	0.193	79	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]Si[5,6]H)	110.5770	0.701	2	110.9430	0.420	4	110.9430	0.420	4	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:1:1:	3:4:3:	4:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	H(C[5]C[5,6a]Si[5,6]H)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]Si[5,6]H)	111.3090	0.482	2	110.9430	0.420	4	110.9430	0.420	4	111.0712	0.419	177	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	109.4625	0.062	2	109.4625	0.004	2	109.7310	0.218	3	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	110.2680	0.000	1	110.2680	0.000	1	109.7310	0.218	3	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,5]O)	108.8740	0.000	1	108.8740	0.000	1	109.6152	2.763	12	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]O)	111.9255	1.183	2	111.9255	1.399	2	109.6152	2.763	12	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[5]C[5,6a]C[5,5]O)	110.4455	0.924	2	110.4455	0.854	2	109.6152	2.763	12	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]O)	108.8237	1.363	7	108.8237	1.859	7	109.6152	2.763	12	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6,6]C[5,6a]O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6,6]C[5,6a]O)	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.8940	0.000	1	109.8940	0.000	1	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]O)	108.5945	0.021	2	108.5945	0.000	2	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]O)	108.8867	0.026	3	108.8867	0.001	3	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,6]O)	108.9745	0.554	2	109.2123	0.323	3	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]O)	109.6880	0.000	1	109.2123	0.323	3	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	H(C[5]C[5,6a]C[5,6]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,6]O)	109.0050	0.000	1	109.0050	0.000	1	109.0385	0.215	10	109.3672	1.424	26	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5]2)	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5,6]-4:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C)	H(C[5]C[5,5,6]C[5,6a]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5,6]C[5,6a]C)	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2C[5,5])	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]2C[5,5])	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	109.0020	0.000	1	109.0020	0.000	1	106.5238	2.734	4	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	105.6545	0.043	2	105.6977	0.007	3	106.5238	2.734	4	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[5])	105.7840	0.000	1	105.6977	0.007	3	106.5238	2.734	4	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.3760	0.000	1	107.6463	0.042	4	109.0426	1.642	11	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C[6a])	107.7363	0.119	3	107.6463	0.042	4	109.0426	1.642	11	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5,5]C[6a])	109.8702	0.831	5	109.7208	0.687	6	109.0426	1.642	11	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	108.9740	0.000	1	109.7208	0.687	6	109.0426	1.642	11	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5,5]C[6a])	110.5590	0.000	1	110.5590	0.000	1	109.0426	1.642	11	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6]C)	106.2525	0.108	2	106.2525	0.012	2	106.2525	0.012	2	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C[6a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[5]C[5,6a]C[5,6]C[6a])	106.5730	0.177	2	106.5730	0.031	2	106.5730	0.031	2	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]N)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5,6]N)	107.9035	0.541	2	107.9035	0.293	2	107.9035	0.293	2	108.0454	2.643	23	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[5]C[5,6a]C[5]2)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5]2)	109.9380	0.035	2	109.9380	0.001	2	109.9380	0.001	2	109.9380	0.001	2	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C)	106.4910	0.000	1	106.4910	0.000	1	107.8901	0.866	7	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	108.3685	0.854	4	108.3685	0.729	4	107.8901	0.866	7	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5]C)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5]C)	107.6330	0.074	2	107.6330	0.005	2	107.8901	0.866	7	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6]C)	109.4640	0.000	1	109.4640	0.000	1	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]C)	108.0750	0.000	1	108.9261	1.286	7	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5,6]C)	108.9790	0.000	1	108.9261	1.286	7	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6]C)	109.2810	0.000	1	108.9261	1.286	7	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	108.8850	1.846	2	108.9261	1.286	7	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5]C[5,6a]C[5,6]C)	109.1890	1.820	2	108.9261	1.286	7	108.9934	1.138	8	108.4785	1.265	15	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	5:3:4:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	H(C[5]C[3x3,4,3x5,14x6]C[5,6a]C[5])	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	6:3:1:1:	3:4:3:	4:	B[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C)	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	C[5](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|C<4>,1|C<6>,1|N<2>,4|B<6>,4|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C){1|C<6>,2|C<3>,5|B<6>}	H(C[5]B[5x3,6x5,20x6]C[5,6a]H)	110.7295	0.029	2	110.7295	0.001	2	110.7295	0.001	2	110.7650	0.031	7	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	6:3:1:1:	3:4:3:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	110.7927	0.301	3	110.7927	0.091	3	110.7792	0.046	5	110.7650	0.031	7	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	H	6:3:1:1:	3:4:3:	4:	C[5x3,6x5,20x6]-6:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	H(C[5]C[5x3,6x5,20x6]C[5,6a]H)	110.7590	0.020	2	110.7590	0.000	2	110.7792	0.046	5	110.7650	0.031	7	110.6598	1.697	6579	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:2:2:1:	3:3:4:	4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]2)(O[5]C[5])2(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]O[5]2H)	H(C[5]C[5a]O[5]2)	C[5](C[5a]C[5a]2)(O[5]C[5])2(H){1|S<2>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]O[5]2H){1|Br<1>,2|C<4>}	H(C[5]C[5a]O[5]2)	110.1900	0.130	2	110.1900	0.017	2	110.1900	0.017	2	110.1900	0.017	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:O[5]-2:O[5]-2:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H)	C[5a](C[5a]C[5a]H)(C[5]O[5]2H)(S[5a]C[5a])	H(C[5]C[5a]O[5]2)	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(H){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]O[5]2H)(S[5a]C[5a]){2|C<4>,2|H<1>}	H(C[5]C[5a]O[5]2)	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	3:4:3:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[5]C[5a]N[5]O[5])	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:2:2:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<4>}	H(C[5]C[5a]N[5]O[5])	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:2:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a])	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|P<4>,5|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.3678	0.077	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:2:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a])	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<4>}	H(C[5]C[5a]N[5]O[5])	109.4400	0.262	4	109.4400	0.069	4	109.4400	0.069	4	109.3678	0.077	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:3:	4:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6]C[5a]O[5])	107.3760	2.695	2	107.3760	7.266	2	107.3760	7.266	2	108.6519	2.974	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	111.1990	0.000	1	111.1990	0.000	1	109.5625	5.356	2	108.6519	2.974	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	H(C[5]C[5,6a]C[5a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){4|C<3>}	H(C[5]C[5,6a]C[5a]O[5])	107.9260	0.000	1	107.9260	0.000	1	109.5625	5.356	2	108.6519	2.974	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:3:	4:	C[5a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]C)(C[5a]O[5a]C){2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	108.6519	2.974	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:2:1:	4:3:3:	4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[5]C[5a]N[5]O[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<4>}	H(C[5]C[5a]N[5]O[5])	108.7605	0.144	2	108.7605	0.021	2	108.7605	0.021	2	108.6519	2.974	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H){1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H)	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a])	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H){1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a]){1|C<3>,4|C<4>}	H(C[5]C[5a]N[5]2)	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	108.9160	3.277	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	H(C[5]C[5a]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H){1|H<1>,2|C<3>,4|C<4>}	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[5a]N[5]2)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.9160	3.277	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H)	H(C[5]C[5,6a]2C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	H(C[5]C[5,6a]2C[5a])	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a])	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,7|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	106.6350	0.000	1	106.6350	0.000	1	109.4435	15.775	2	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	112.2520	0.000	1	112.2520	0.000	1	109.4435	15.775	2	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<1>,6|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){3|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	108.5040	0.000	1	108.5040	0.000	1	109.0885	0.683	2	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	109.6730	0.000	1	109.6730	0.000	1	109.0885	0.683	2	108.6999	3.603	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:2:2:	4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H)	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a])	H(C[5]C[5a]N[5]2)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H){2|C<3>,4|C<4>}	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5a]N[5]2)	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a])	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	105.2697	54.033	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|O<2>,5|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	94.2569	0.000	1	94.2569	0.000	1	94.2569	0.000	1	105.2697	54.033	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	105.2697	54.033	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(C[5]C[5,6a]C[5a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	H(C[5]C[5,6a]C[5a]N[5])	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	105.2697	54.033	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.4310	0.000	1	106.8483	0.647	3	106.8483	0.647	3	106.8483	0.647	3	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	106.5570	0.885	2	106.8483	0.647	3	106.8483	0.647	3	106.8483	0.647	3	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6a]C[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5a]C[5])	107.7020	0.399	2	107.7020	0.159	2	107.7020	0.159	2	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.3670	0.000	1	109.3670	0.000	1	109.6564	0.457	8	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.8860	0.000	1	109.6977	0.517	7	109.6564	0.457	8	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	110.9530	0.000	1	109.6977	0.517	7	109.6564	0.457	8	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.6303	0.523	4	109.6977	0.517	7	109.6564	0.457	8	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.5240	0.000	1	109.6977	0.517	7	109.6564	0.457	8	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|H<1>,2|N<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	110.5500	0.128	3	110.5500	0.016	3	110.0256	0.483	7	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0525	0.347	2	110.0525	0.121	2	110.0256	0.483	7	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	109.7560	0.000	1	109.7560	0.000	1	110.0256	0.483	7	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	108.6680	0.000	1	108.6680	0.000	1	110.0256	0.483	7	109.5103	0.880	19	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.8230	0.188	2	109.7707	0.026	3	109.7707	0.026	3	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.6660	0.000	1	109.7707	0.026	3	109.7707	0.026	3	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.5910	0.000	1	109.5910	0.000	1	109.6830	0.007	3	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7010	0.000	1	109.7010	0.000	1	109.6830	0.007	3	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7570	0.000	1	109.7570	0.000	1	109.6830	0.007	3	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5]N[5,6]C[5a]C[5])	110.1895	0.790	2	109.7574	0.336	5	109.7574	0.336	5	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.4693	0.219	3	109.7574	0.336	5	109.7574	0.336	5	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	108.5637	0.304	3	108.5637	0.092	3	109.1680	0.351	12	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.6792	0.412	5	109.3694	0.276	9	109.1680	0.351	12	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]N[5,6]C[5a]C[5])	108.9822	0.388	4	109.3694	0.276	9	109.1680	0.351	12	109.4090	0.337	24	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:3:	4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	109.0248	0.328	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:3:	4:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	H(C[5]N[5,5]C[5a]C[5])	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	H(C[5]N[5,5]C[5a]C[5])	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.0248	0.328	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	108.2510	0.000	1	108.2510	0.000	1	108.7420	0.482	2	109.0248	0.328	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:3:	4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[5]N[5,5a]C[5a]C[5])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]N[5,5a]C[5a]C[5])	109.2330	0.000	1	109.2330	0.000	1	108.7420	0.482	2	109.0248	0.328	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	H(C[5]N[5,6]C[5a]C[5])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]N[5,6]C[5a]C[5])	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.0248	0.328	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	108.7387	1.188	3	108.7387	1.411	3	109.1798	0.452	10	109.1006	0.406	12	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	109.3160	0.244	6	109.3689	0.069	7	109.1798	0.452	10	109.1006	0.406	12	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5]C[5a]C[5]O[5])	109.6860	0.000	1	109.3689	0.069	7	109.1798	0.452	10	109.1006	0.406	12	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a]){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	108.7045	0.141	2	108.7045	0.020	2	108.7045	0.020	2	109.1006	0.406	12	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5a]C[5]O[5])	109.1830	0.000	1	109.1830	0.000	1	109.3110	0.604	4	109.3110	0.604	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	109.7310	0.000	1	109.7310	0.000	1	109.3110	0.604	4	109.3110	0.604	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]O[5])	108.2770	0.000	1	108.2770	0.000	1	109.3110	0.604	4	109.3110	0.604	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	110.0530	0.000	1	110.0530	0.000	1	109.3110	0.604	4	109.3110	0.604	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:2:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5a]-2:O[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5]C[5a]C[5]O[5])	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	110.1075	1.425	2	110.1075	2.030	2	110.1075	2.030	2	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<4>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	108.6460	0.000	1	108.6460	0.000	1	109.0105	0.266	2	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	109.3750	0.000	1	109.3750	0.000	1	109.0105	0.266	2	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	105.6310	0.000	1	105.6310	0.000	1	108.0542	2.662	4	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]O[5])	108.7010	0.045	2	108.7010	0.002	2	108.0542	2.662	4	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	H(C[5]C[5a]C[5]O[5])	109.1840	0.000	1	109.1840	0.000	1	108.0542	2.662	4	108.7082	2.089	9	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5a]C[5]O[5])	108.9230	0.519	2	108.9230	0.269	2	108.8997	0.136	3	108.8997	0.136	3	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:2:1:	4:3:3:	4:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	H(C[5]C[5a]C[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5a]C[5]O[5])	108.8530	0.000	1	108.8530	0.000	1	108.8997	0.136	3	108.8997	0.136	3	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	108.5920	0.000	1	108.5920	0.000	1	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	108.8653	0.880	4	108.8653	0.775	4	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.8680	0.000	2	108.8680	0.000	2	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	110.5590	0.247	2	110.7375	0.188	4	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	111.3490	0.000	1	110.7375	0.188	4	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	110.4830	0.000	1	110.7375	0.188	4	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.6610	0.402	2	108.6610	0.161	2	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	109.6610	0.000	1	109.6610	0.000	1	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	108.4520	0.000	1	108.4520	0.000	1	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	108.2750	0.000	1	108.2750	0.000	1	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	H(C[5]C[5a]C[5]2)	108.0210	0.136	2	108.0210	0.018	2	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	109.8755	0.100	2	109.8755	0.010	2	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	109.7890	0.000	1	109.7890	0.000	1	109.2396	0.989	21	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H){1|N<2>,2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	111.6795	0.162	2	111.6795	0.026	2	110.2198	2.854	4	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.7600	0.116	2	108.7600	0.013	2	110.2198	2.854	4	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5a]C[5]2)	105.9170	0.000	1	105.9170	0.000	1	107.1970	3.277	2	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.4770	0.000	1	108.4770	0.000	1	107.1970	3.277	2	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[5a]C[5]2)	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	109.1344	2.057	29	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	110.1890	0.000	1	110.1890	0.000	1	109.4985	0.954	2	109.1948	0.911	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.8080	0.000	1	108.8080	0.000	1	109.4985	0.954	2	109.1948	0.911	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a]){1|O<2>,6|C<3>}	H(C[5]C[5a]C[5]N[5])	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	109.1948	0.911	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5a]C[5]N[5])	109.5360	0.000	1	109.5360	0.000	1	109.6205	0.014	2	109.1948	0.911	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.7050	0.000	1	109.7050	0.000	1	109.6205	0.014	2	109.1948	0.911	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>,2|O<2>,3|C<4>}	H(C[5]C[5,6]C[5a]N[5])	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<2>,3|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	110.4300	0.000	1	110.4300	0.000	1	108.8523	1.934	6	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	107.2845	0.680	2	107.7917	1.003	3	108.8523	1.934	6	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){4|H<1>,5|C<3>}	H(C[5]C[5a]C[5]N[5])	108.8060	0.000	1	107.7917	1.003	3	108.8523	1.934	6	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	109.1470	0.000	1	109.1470	0.000	1	108.8523	1.934	6	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[5a]C[5]N[5])	110.1620	0.000	1	110.1620	0.000	1	108.8523	1.934	6	108.9734	1.715	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:2:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	110.9085	0.111	2	110.9085	0.012	2	110.9085	0.012	2	110.9085	0.012	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,6a]C[5,5]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5]C[5a])	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.4560	0.000	1	109.4560	0.000	1	109.7442	0.581	5	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.8162	0.860	4	109.8162	0.740	4	109.7442	0.581	5	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.1490	0.000	1	109.1490	0.000	1	109.5350	0.298	2	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	109.9210	0.000	1	109.9210	0.000	1	109.5350	0.298	2	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	H(C[5]C[5a]C[5]N[5])	108.1050	0.000	1	108.1050	0.000	1	108.9298	1.021	6	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	H(C[5]C[5a]C[5]N[5])	108.2790	0.000	1	108.2790	0.000	1	108.9298	1.021	6	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	108.4765	0.746	2	108.4765	0.557	2	108.9298	1.021	6	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.8080	0.000	1	109.8080	0.000	1	108.9298	1.021	6	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5a]C[5]N[5])	110.4340	0.000	1	110.4340	0.000	1	108.9298	1.021	6	109.3558	0.746	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[5]C[5,5a]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,5a]C[5a]C[5])	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	109.5300	0.245	2	109.5300	0.060	2	109.5735	0.212	6	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	110.3040	0.000	1	110.3040	0.000	1	109.5735	0.212	6	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	H(C[5]C[5a]C[5]N[5])	109.5610	0.281	2	109.5610	0.079	2	109.5735	0.212	6	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	H(C[5]C[5a]C[5]N[5])	108.9550	0.000	1	108.9550	0.000	1	109.5735	0.212	6	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	112.2715	2.260	4	112.2715	5.110	4	112.2715	5.110	4	110.5575	3.486	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,5|H<1>}	H(C[5]C[5a]C[5]2)	108.1750	0.000	1	107.9563	0.068	3	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5a]C[5]2)	108.0250	0.000	1	107.9563	0.068	3	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5a]C[5]2)	107.6690	0.000	1	107.9563	0.068	3	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.9240	0.000	1	107.9240	0.000	1	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	108.5810	0.000	1	108.5810	0.000	1	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.2290	0.051	2	107.2290	0.003	2	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	H(C[5]C[5a]C[5]2)	106.8940	0.226	2	106.8940	0.051	2	107.6244	0.363	9	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5a]C[5]2)	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|C<3>,4|H<1>,6|C<4>}	H(C[5]C[5a]C[5]N[5])	106.0625	0.374	2	106.1783	0.110	3	106.1783	0.110	3	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|H<1>,4|C<3>,6|C<4>}	H(C[5]C[5a]C[5]N[5])	106.4100	0.000	1	106.1783	0.110	3	106.1783	0.110	3	107.4176	0.784	14	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5]C[5a]C[5]2)	109.0580	0.000	1	109.0580	0.000	1	108.0500	0.572	5	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.0750	0.000	1	107.0750	0.000	1	108.0500	0.572	5	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.8075	0.005	2	107.8075	0.000	2	108.0500	0.572	5	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5a]C[5]2)	108.5020	0.000	1	108.5020	0.000	1	108.0500	0.572	5	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.4770	0.000	1	107.4770	0.000	1	108.5787	3.905	3	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	110.8600	0.000	1	110.8600	0.000	1	108.5787	3.905	3	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[5a]C[5]2)	107.3990	0.000	1	107.3990	0.000	1	108.5787	3.905	3	108.2482	1.517	8	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	3:4:3:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5a]C[5]N[5])	106.6515	0.029	2	106.6515	0.001	2	106.6515	0.001	2	106.6515	0.001	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	3:4:4:1:	4:3:2:	4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5a]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[5a]C[5]N[5])	109.8120	0.000	1	109.8120	0.000	1	109.8120	0.000	1	109.8120	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:O[5]-2:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[5,6]C[5a]O[5])	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:2:	4:	C[3,5]-4:C[5a]-3:S[5]-2:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H)	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[3,5]C[5a]S[5])	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<4>}	H(C[5]C[3,5]C[5a]S[5])	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.6090	0.053	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6]C[5a]O[5])	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.6090	0.053	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[3,5,6]C[5a]O[5])	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5a]O[5])	108.0710	0.000	1	106.8400	6.596	3	106.8400	6.596	3	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[3,5,6]C[5a]O[5])	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5a]O[5])	106.2245	3.304	2	106.8400	6.596	3	106.8400	6.596	3	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5a]O[5])	109.2860	0.000	1	109.2860	0.000	1	108.5209	0.251	9	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5a]O[5])	108.1680	0.000	1	108.4253	0.193	8	108.5209	0.251	9	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|C<4>}	H(C[5]C[5,6]C[5a]O[5])	108.6260	0.399	2	108.4253	0.193	8	108.5209	0.251	9	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|C<3>}	H(C[5]C[5,6]C[5a]O[5])	108.3272	0.562	4	108.4253	0.193	8	108.5209	0.251	9	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]O[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6]C[5a]O[5])	108.6730	0.000	1	108.4253	0.193	8	108.5209	0.251	9	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	109.2600	0.327	2	109.2837	0.048	6	109.2837	0.048	6	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5a]C[5]O[5])	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5a]C[5]O[5])	109.2955	0.209	4	109.2837	0.048	6	109.2837	0.048	6	108.4950	1.612	18	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5a]C[5]2)	108.7977	0.592	3	108.7977	0.351	3	108.7977	0.351	3	108.7977	0.351	3	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	3:4:2:	4:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	H(C[5]C[5a]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|C<4>}	H(C[5]C[5a]C[5]2)	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5a]N[5])	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5a]N[5])	110.9720	0.000	1	110.9720	0.000	1	109.7414	0.546	5	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5]C[5,5]C[5a]N[5])	109.6990	0.000	1	109.6430	0.006	2	109.7414	0.546	5	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5a]N[5])	109.5870	0.000	1	109.6430	0.006	2	109.7414	0.546	5	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,5]C[5a]N[5])	109.4590	0.000	1	109.4590	0.000	1	109.7414	0.546	5	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,5]C[5a]N[5])	108.9900	0.000	1	108.9900	0.000	1	109.7414	0.546	5	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[5a])	107.1330	2.974	2	107.1330	8.845	2	107.1330	8.845	2	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,5]N[5,5]C[5a])	105.4060	0.000	1	105.4060	0.000	1	105.4060	0.000	1	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,6]C[5a]N[5])	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5a]N[5])	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	108.6180	3.642	10	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	H(C[5]C[3x5,6]C[5a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3x5,6]C[5a]N[5])	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:N[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5]C[3x5,6]C[5a]N[5])	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[3x5,6]C[5a]N[5])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5a]N[5])	109.3940	0.225	2	109.3940	0.051	2	109.0108	0.499	4	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5a]N[5])	108.6275	0.927	2	108.6275	0.859	2	109.0108	0.499	4	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5]C[5,5]N[5,5]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]N[5,5]C[5a])	106.9585	2.365	2	106.9585	5.595	2	106.9585	5.595	2	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5]C[5,5]C[5a]N[5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[5]C[5,5]C[5a]N[5])	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,1|O<1>,4|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5]C[5,6]C[5a]C[5])	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5085	1.808	11	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H)	H(C[5]C[5a]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[5]C[5a]C[5]2)	107.2500	0.765	2	107.2500	0.585	2	107.2500	0.585	2	107.2500	0.585	2	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,5]C[5a]C[5])	107.5565	0.056	2	107.5565	0.003	2	106.9995	0.433	4	107.0082	0.325	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	3:4:3:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5]C[5,5]C[5a]C[5])	106.4425	0.234	2	106.4425	0.055	2	106.9995	0.433	4	107.0082	0.325	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H){1|C<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	107.0082	0.325	5	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,2|O<1>,4|H<1>,6|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5]C[5,5]2C[5a])	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	107.7384	2.985	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]C[5a]C[5])	106.3865	0.426	2	106.3865	0.182	2	106.3865	0.182	2	107.7384	2.985	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5]C[5,5]C[5a]C[5])	107.6940	0.000	1	107.6940	0.000	1	107.9090	0.406	3	107.7384	2.985	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5]C[5,5]C[5a]C[5])	108.0165	0.862	2	108.0165	0.743	2	107.9090	0.406	3	107.7384	2.985	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	107.7384	2.985	7	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.3340	0.038	2	107.3340	0.001	2	106.8366	1.102	16	106.8366	1.102	16	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	107.7870	0.441	2	106.9981	0.509	13	106.8366	1.102	16	106.8366	1.102	16	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.8906	0.690	9	106.9981	0.509	13	106.8366	1.102	16	106.8366	1.102	16	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6]C[5a]C[5])	106.6930	0.759	2	106.9981	0.509	13	106.8366	1.102	16	106.8366	1.102	16	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5a]C[5])	103.7420	0.000	1	103.7420	0.000	1	106.8366	1.102	16	106.8366	1.102	16	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,5]2C[5a])	106.4910	0.000	1	106.1495	0.233	2	106.1495	0.233	2	106.6870	1.070	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,5]2C[5a])	105.8080	0.000	1	106.1495	0.233	2	106.1495	0.233	2	106.6870	1.070	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a])	H(C[5]C[5,5]2C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>,1|N<3>,5|C<3>}	H(C[5]C[5,5]2C[5a])	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	106.6870	1.070	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:2:	4:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a])	H(C[5]C[5,5]C[5a]C[5])	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>,5|C<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5]C[5,5]C[5a]C[5])	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	106.6870	1.070	4	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5]C[5,6]C[5a])	106.7960	0.083	2	106.7960	0.007	2	106.9308	0.074	5	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5]C[5,6]C[5a])	107.3470	0.000	1	107.0207	0.114	3	106.9308	0.074	5	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5]C[5,6]C[5a])	106.6720	0.000	1	107.0207	0.114	3	106.9308	0.074	5	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	H(C[5]C[3x5]C[5,6]C[5a])	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[3x5]C[5,6]C[5a])	107.0430	0.000	1	107.0207	0.114	3	106.9308	0.074	5	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6680	0.000	1	107.6297	0.001	3	107.6297	0.001	3	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[5,6]C[5a])	107.6105	0.008	2	107.6297	0.001	3	107.6297	0.001	3	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	H(C[5]C[5,5]C[5,6]C[5a])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5,5]C[5,6]C[5a])	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|H<1>,4|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.1757	0.286	3	107.1757	0.082	3	107.1767	0.055	4	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466
474	727	951	0:SP3_SP-NON_SP2	C[5]	C[5a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[5]C[5,6]C[5a]C[5])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[5a]C[5])	107.1800	0.000	1	107.1800	0.000	1	107.1767	0.055	4	107.1212	0.172	13	108.6237	2.816	299	110.8175	3.411	8466