466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,3x6]	H	3:4:4:1:	4:3:4:	4:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[5,3x6]C[5,6,6]C[6,6])	113.0580	0.151	2	113.0580	0.023	2	113.0580	0.023	2	113.0580	0.023	2	113.0580	0.023	2	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	113.7325	0.050	2	113.7325	0.003	2	113.7325	0.003	2	113.7325	0.003	2	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:2:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.9529	0.286	7	112.9529	0.082	7	112.9529	0.082	7	112.7310	0.256	9	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	111.9545	0.095	2	111.9545	0.009	2	111.9545	0.009	2	112.7310	0.256	9	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6160	0.000	1	111.3650	0.034	5	111.3650	0.034	5	111.3599	0.021	8	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3210	0.209	2	111.3650	0.034	5	111.3650	0.034	5	111.3599	0.021	8	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2835	0.112	2	111.3650	0.034	5	111.3650	0.034	5	111.3599	0.021	8	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3210	0.074	2	111.3513	0.005	3	111.3513	0.005	3	111.3599	0.021	8	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4120	0.000	1	111.3513	0.005	3	111.3513	0.005	3	111.3599	0.021	8	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:4:2:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3180	0.000	1	111.3180	0.000	1	111.2267	0.009	3	111.2267	0.009	3	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1810	0.068	2	111.1810	0.005	2	111.2267	0.009	3	111.2267	0.009	3	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6,6]	H	3:4:4:1:	4:4:2:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:N[5]-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a])	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a]){2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	112.0155	0.818	26	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[3x6]	C[5,6]	H	3:3:4:1:	4:4:2:	4:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[3x6]-4:N[5]-2:	C[3x6]-4:	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a])	H(C[3x6]C[5,6]C[6,6]N[4x6])	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[5,6]C[6,6]N[4x6])	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[4x6]	C[5,6,6]	H	3:4:4:1:	4:4:2:	4:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[4x6]-4:	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	H(C[4x6]C[5,6,6]C[6,6]C[6x6])	109.2463	0.144	3	109.2463	0.021	3	109.2463	0.021	3	109.2463	0.021	3	109.2463	0.021	3	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.1995	0.019	2	110.1995	0.000	2	110.2720	0.016	3	110.2720	0.016	3	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.4170	0.000	1	110.4170	0.000	1	110.2720	0.016	3	110.2720	0.016	3	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H)	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	109.6235	0.620	2	109.6235	0.385	2	109.6235	0.385	2	108.5337	3.755	3	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.3540	0.000	1	106.3540	0.000	1	106.3540	0.000	1	108.5337	3.755	3	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	110.3777	0.523	4	110.3777	0.274	4	110.3777	0.274	4	110.3777	0.274	4	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	108.2240	0.000	1	108.2240	0.000	1	107.5927	0.357	3	107.9490	0.746	4	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.0360	0.000	1	107.0360	0.000	1	107.5927	0.357	3	107.9490	0.746	4	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.5180	0.000	1	107.5180	0.000	1	107.5927	0.357	3	107.9490	0.746	4	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	107.9490	0.746	4	109.0898	2.403	15	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:3:4:1:	4:3:2:	4:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	107.6730	0.000	2	107.6730	0.000	2	107.6730	0.000	2	107.6730	0.000	2	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:2:1:	4:4:2:	4:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	109.4253	0.201	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:2:1:	4:4:2:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.7760	0.140	2	109.7760	0.020	2	109.7760	0.020	2	109.4253	0.201	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:2:1:	4:4:2:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	109.4253	0.201	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:3:1:	4:4:2:	4:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:3:1:	4:4:3:	4:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9060	0.240	2	106.9060	0.058	2	106.9060	0.058	2	107.6317	1.974	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	107.6317	1.974	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	107.6317	1.974	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:4:1:	4:4:2:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5])	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5]){2|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	3:4:4:1:	4:4:3:	4:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:3:1:	4:4:2:	4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	H(C[6,6]C[5,6]2N[6,6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]2N[6,6])	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1010	0.000	1	107.1010	0.000	1	106.7690	0.220	2	106.7690	0.220	2	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4370	0.000	1	106.4370	0.000	1	106.7690	0.220	2	106.7690	0.220	2	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8190	3.103	2	107.8190	9.627	2	107.9917	3.260	4	107.9917	3.260	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1645	0.186	2	108.1645	0.035	2	107.9917	3.260	4	107.9917	3.260	4	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	106.4276	2.310	5	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6995	0.532	2	106.6995	0.284	2	105.9843	1.676	3	106.4276	2.310	5	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.5540	0.000	1	104.5540	0.000	1	105.9843	1.676	3	106.4276	2.310	5	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:4:3:	4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	105.6070	0.000	1	105.6070	0.000	1	105.6070	0.000	1	106.4276	2.310	5	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	107.7973	2.000	29	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6,6]	C[5]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	H(C[6,6]C[3x6]2C[5])	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H){10|H<1>,2|C<3>,3|C<4>}	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[3x6]2C[5])	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6,6a]H)	109.2540	0.041	4	109.2540	0.002	4	109.2540	0.002	4	109.2540	0.002	4	109.3006	0.111	11	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2100	0.030	2	109.2100	0.001	2	109.1890	0.001	4	109.4262	0.136	6	109.3006	0.111	11	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1680	0.023	2	109.1680	0.001	2	109.1890	0.001	4	109.4262	0.136	6	109.3006	0.111	11	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.9005	0.042	2	109.9005	0.002	2	109.9005	0.002	2	109.4262	0.136	6	109.3006	0.111	11	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6,6]	H	3:4:2:1:	4:3:4:	4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6,6]O)	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	109.3006	0.111	11	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.5855	0.054	2	109.5855	0.003	2	109.5855	0.003	2	110.6881	2.386	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:3:4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	H(C[6]C[5,6]S[6]H)	113.0270	1.339	2	113.0270	1.794	2	113.0270	1.794	2	110.6881	2.386	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:3:4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	H(C[6]C[5,6]S[6]H)	110.0700	0.035	4	110.0700	0.001	4	110.0700	0.001	4	110.6881	2.386	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:2:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5])	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	110.2420	0.020	2	110.2420	0.000	2	109.7465	0.053	14	109.7465	0.053	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:2:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.6910	0.139	6	109.6676	0.016	8	109.7465	0.053	14	109.7465	0.053	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:2:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5])	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(N[5]N[5]){1|Se<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.5975	0.049	2	109.6676	0.016	8	109.7465	0.053	14	109.7465	0.053	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:2:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.6565	0.036	4	109.6565	0.001	4	109.7465	0.053	14	109.7465	0.053	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:3:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.0100	0.010	2	109.0100	0.000	2	109.0100	0.000	2	109.4340	0.240	4	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:3:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.8580	0.018	2	109.8580	0.000	2	109.8580	0.000	2	109.4340	0.240	4	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	3:4:4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]N[4,6]C[5])(C[5]O[5]HH)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[5,6]S[6]H)	109.3605	0.025	2	109.3605	0.001	2	109.3605	0.001	2	109.3605	0.001	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	4:3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.5865	0.011	2	109.5865	0.000	2	109.5865	0.000	2	109.8596	0.042	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	4:3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	110.0770	0.006	2	110.0770	0.000	2	109.9688	0.011	5	109.8596	0.042	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	4:3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5,5]H)(C[6]O[6]HH){4|C<3>}	H(C[6]C[5,6]O[6]H)	109.8967	0.057	3	109.8967	0.003	3	109.9688	0.011	5	109.8596	0.042	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:1:1:	4:4:3:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.6645	0.060	2	109.6645	0.004	2	109.6645	0.004	2	109.6645	0.004	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:2:1:	4:4:3:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]O[6]O)	109.5870	0.000	1	109.5870	0.000	1	109.7577	0.022	3	109.7577	0.022	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:2:1:	4:4:3:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6,6]O[5]O)(C[6]O[6]HO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]O[6]O)	109.8430	0.000	2	109.8430	0.000	2	109.7577	0.022	3	109.7577	0.022	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:2:4:1:	4:3:4:	4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]O[6]C)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.7785	0.019	2	107.7785	0.000	2	107.7785	0.000	2	108.7045	0.933	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:2:	4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.1067	0.034	3	109.1067	0.001	3	109.1067	0.001	3	108.7045	0.933	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:2:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5])	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	H(C[6]C[5,6]N[6]H)	109.8295	0.255	4	109.8295	0.065	4	109.8295	0.065	4	108.7045	0.933	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:2:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.6735	0.023	2	107.6735	0.001	2	107.7407	0.007	4	108.7045	0.933	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:2:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.8080	0.035	2	107.8080	0.001	2	107.7407	0.007	4	108.7045	0.933	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|B<4>,1|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.0585	0.902	2	108.8570	1.121	4	108.8570	1.121	4	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6555	0.023	2	108.8570	1.121	4	108.8570	1.121	4	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H){1|O<1>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.0207	0.088	3	109.0207	0.008	3	109.0594	0.007	5	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.1175	0.011	2	109.1175	0.000	2	109.0594	0.007	5	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7355	0.032	2	109.7355	0.001	2	109.7355	0.001	2	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	H(C[6]C[5,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	H(C[6]C[5,6]N[5,6]H)	109.7590	0.028	2	109.7590	0.001	2	109.7590	0.001	2	109.2088	0.430	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2{1|I<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	H(C[6]C[5,6]C[6]H)	106.1405	0.333	2	106.1405	0.111	2	106.1405	0.111	2	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]C[6]HH){2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1082	0.103	4	109.1082	0.011	4	107.8863	2.191	8	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	106.6642	1.058	4	106.6642	1.119	4	107.8863	2.191	8	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	H(C[6]C[5,6]N[6]H)	109.5230	0.034	2	109.5230	0.001	2	109.7540	0.072	4	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	H(C[6]C[5,6]N[6]H)	109.9850	0.024	2	109.9850	0.001	2	109.7540	0.072	4	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.0905	0.019	2	109.0905	0.000	2	109.0905	0.000	2	108.2855	2.404	16	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.8700	0.016	2	108.8700	0.000	2	108.8700	0.000	2	109.9858	0.566	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]N[6]H)	109.4570	0.038	2	109.4570	0.001	2	109.4570	0.001	2	109.9858	0.566	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	110.6700	0.011	2	110.6700	0.000	2	110.5340	0.049	6	109.9858	0.566	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	110.6825	0.033	2	110.6825	0.001	2	110.5340	0.049	6	109.9858	0.566	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	H(C[6]C[5,6]N[6]H)	110.2495	0.011	2	110.2495	0.000	2	110.5340	0.049	6	109.9858	0.566	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	110.1825	0.029	2	110.1825	0.001	2	110.1825	0.001	2	110.0610	0.020	4	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.9395	0.026	2	109.9395	0.001	2	109.9395	0.001	2	110.0610	0.020	4	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:2:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	H(C[6]C[5,6]C[5]C[6])	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	108.4795	1.324	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	109.1530	0.000	1	108.4565	0.583	4	108.4565	0.583	4	108.4795	1.324	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.2243	0.742	3	108.4565	0.583	4	108.4565	0.583	4	108.4795	1.324	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.4795	1.324	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:3:	4:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]N[6])	108.0065	2.531	2	108.0065	6.405	2	108.0065	6.405	2	108.4795	1.324	8	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:4:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	108.0010	0.022	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	108.0010	0.022	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.8090	0.311	2	108.8090	0.097	2	108.5757	0.212	3	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1090	0.000	1	108.1090	0.000	1	108.5757	0.212	3	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.6350	0.000	1	108.6350	0.000	1	108.5403	0.007	3	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5050	0.000	1	108.4930	0.000	2	108.5403	0.007	3	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.4810	0.000	1	108.4930	0.000	2	108.5403	0.007	3	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4480	0.000	1	107.4480	0.000	1	107.9733	0.141	7	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9453	0.336	4	107.9453	0.113	4	107.9733	0.141	7	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.4060	0.000	1	108.4060	0.000	1	107.9733	0.141	7	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.1780	0.000	1	108.1780	0.000	1	107.9733	0.141	7	108.2714	0.195	14	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:S[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO){4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.4847	0.302	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5060	0.000	1	108.5060	0.000	1	108.7200	0.092	2	108.4847	0.302	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.9340	0.000	1	108.9340	0.000	1	108.7200	0.092	2	108.4847	0.302	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:S[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.9330	0.184	2	108.9330	0.034	2	108.9330	0.034	2	108.4847	0.302	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:3:4:	4:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	H(C[6]N[5a,6]C[5,6]C[6a])	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[5,6]C[6a])	107.7270	0.062	2	107.7270	0.004	2	107.7270	0.004	2	108.4847	0.302	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	H(C[6]C[5,6]C[6,6]C)	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.6064	0.172	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8105	0.262	2	107.8105	0.069	2	107.8105	0.069	2	107.6064	0.172	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	107.6064	0.172	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	H(C[6]C[6,6a]C[5,6]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]C[5])	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.6064	0.172	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-3:B-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH)	H(C[6]C[5,6]C[6]B)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]BH){1|C<2>,1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]B)	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	109.3055	0.800	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]C)	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	109.3055	0.800	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:2:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.7613	0.158	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:2:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:S[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.9130	0.423	2	107.9130	0.179	2	107.9130	0.179	2	107.7613	0.158	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.2310	0.000	1	108.2310	0.000	1	108.1087	0.011	3	108.1087	0.011	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.0440	0.000	1	108.0440	0.000	1	108.1087	0.011	3	108.1087	0.011	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.0510	0.000	1	108.0510	0.000	1	108.1087	0.011	3	108.1087	0.011	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.8645	0.764	2	107.8645	0.584	2	108.1879	0.273	7	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5250	0.000	1	108.5250	0.000	1	108.1879	0.273	7	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.2860	0.000	1	108.2860	0.000	1	108.1879	0.273	7	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2865	0.839	2	108.2583	0.355	3	108.1879	0.273	7	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.2020	0.000	1	108.2583	0.355	3	108.1879	0.273	7	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	108.1174	0.227	9	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.5360	0.083	2	108.5360	0.007	2	109.1647	0.530	4	109.5228	0.221	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7935	0.032	2	109.7935	0.001	2	109.1647	0.530	4	109.5228	0.221	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7019	0.099	8	109.7019	0.010	8	109.7019	0.010	8	109.5228	0.221	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]2H)	110.2920	0.017	2	110.2920	0.000	2	110.2920	0.000	2	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:D-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H)	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	H(C[6]C[5,6]C[6]D)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]D)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.4270	0.000	1	109.3867	0.001	3	109.3867	0.001	3	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3665	0.016	2	109.3867	0.001	3	109.3867	0.001	3	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4160	0.030	2	109.4160	0.001	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.2010	1.686	2	110.2010	2.842	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.8540	0.000	1	109.8540	0.000	1	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.5580	0.006	2	109.5580	0.000	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1840	0.000	1	109.1840	0.000	1	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1590	0.006	2	109.1590	0.000	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	110.9515	1.411	2	110.9515	1.990	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.0095	0.400	2	109.0095	0.160	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8227	0.203	6	109.8227	0.041	6	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9453	0.092	16	108.9639	0.055	30	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9465	0.302	4	108.9639	0.055	30	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0255	0.405	8	108.9639	0.055	30	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9020	0.047	2	108.9639	0.055	30	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.8466	0.346	23	108.8821	0.087	39	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1970	0.037	2	108.8821	0.087	39	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2580	0.081	2	108.8821	0.087	39	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.7218	0.113	4	108.8821	0.087	39	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.8915	0.067	8	108.8821	0.087	39	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0224	0.174	7	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0580	0.052	3	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.6970	2.236	4	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0420	0.033	2	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.6565	0.046	2	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5155	0.013	2	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1535	0.235	4	109.0900	0.741	24	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1625	0.059	4	109.1625	0.003	4	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5105	0.029	2	109.5105	0.001	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5455	0.037	2	109.5455	0.001	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5585	0.066	2	109.5585	0.004	2	109.1213	0.363	123	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.3103	0.026	3	109.3359	0.002	9	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3270	0.055	2	109.3359	0.002	9	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.3595	0.040	4	109.3359	0.002	9	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.5010	0.020	2	109.5010	0.000	2	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8920	0.007	2	109.8920	0.000	2	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4030	0.021	2	109.4030	0.000	2	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9980	0.142	4	110.0188	0.020	17	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0252	0.147	13	110.0188	0.020	17	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7330	0.044	2	109.7330	0.002	2	109.7471	0.107	34	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Sn<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4265	0.039	2	109.4265	0.002	2	109.4265	0.002	2	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9760	0.000	1	108.9760	0.000	1	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.4387	0.107	4	109.4387	0.011	4	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1467	0.079	3	110.1467	0.006	3	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	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[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	112.2765	0.262	2	112.2765	0.069	2	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	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[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1695	0.035	2	109.1695	0.001	2	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.7680	2.148	2	108.7680	4.615	2	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9180	0.025	2	109.8660	0.004	4	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8140	0.011	2	109.8660	0.004	4	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	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[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0175	0.022	2	110.0175	0.000	2	109.8549	1.134	20	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8342	0.099	4	109.7515	0.017	10	109.7515	0.017	10	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.6963	0.126	6	109.7515	0.017	10	109.7515	0.017	10	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4384	0.066	5	109.4384	0.004	5	109.6578	0.052	11	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9060	0.061	4	109.9060	0.004	4	109.6578	0.052	11	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	109.7100	0.041	2	109.7100	0.002	2	109.6578	0.052	11	109.3751	0.445	206	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3093	1.692	8	109.3921	2.257	10	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.7235	0.005	2	109.3921	2.257	10	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6715	0.109	8	109.6715	0.012	8	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4115	0.046	2	109.4115	0.002	2	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6930	0.000	1	109.5413	0.033	15	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6603	0.065	4	109.5413	0.033	15	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1995	0.019	2	109.5413	0.033	15	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5482	0.142	8	109.5413	0.033	15	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6990	2.400	2	109.6990	5.760	2	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6]H)	109.5583	0.014	3	109.5583	0.000	3	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6740	0.041	2	109.6740	0.002	2	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1195	0.008	2	110.1195	0.000	2	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7030	0.000	1	109.7030	0.000	1	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9340	0.013	2	109.9340	0.000	2	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9710	0.024	4	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6890	0.007	2	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8930	0.114	3	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7492	0.094	4	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.0445	0.035	2	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.2050	0.007	2	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.0455	0.015	2	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6]H)	110.0240	0.007	2	109.9322	0.027	21	109.6918	0.452	68	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4515	0.181	8	109.4377	0.026	10	109.4377	0.026	10	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3825	0.045	2	109.4377	0.026	10	109.4377	0.026	10	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5]){2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	110.3200	0.560	2	110.3200	0.314	2	109.4890	0.168	26	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4198	0.322	24	109.4198	0.103	24	109.4890	0.168	26	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7970	0.066	4	109.7323	0.016	10	109.6766	0.019	14	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7570	0.048	2	109.7323	0.016	10	109.6766	0.019	14	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8000	0.008	2	109.7323	0.016	10	109.6766	0.019	14	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5105	0.008	2	109.7323	0.016	10	109.6766	0.019	14	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5373	0.020	4	109.5373	0.000	4	109.6766	0.019	14	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.9590	0.037	2	109.9590	0.001	2	109.9590	0.001	2	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0470	0.187	2	109.0470	0.035	2	109.0470	0.035	2	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5330	0.007	4	109.4489	0.028	10	109.4489	0.028	10	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|C<4>,1|O<1>,3|F<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1365	0.011	2	109.4489	0.028	10	109.4489	0.028	10	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5210	0.055	4	109.4489	0.028	10	109.4489	0.028	10	109.6069	0.287	132	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]2H)	110.1003	0.036	4	110.1003	0.001	4	110.1003	0.001	4	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[5,6]C[6,6]H)	109.4880	0.031	2	109.4880	0.001	2	109.4880	0.001	2	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5054	0.157	8	109.5054	0.025	8	109.5054	0.025	8	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	111.3445	0.193	2	111.3445	0.037	2	111.3445	0.037	2	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5a,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5480	0.105	4	109.5480	0.011	4	109.5480	0.011	4	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.2485	0.118	2	109.2485	0.014	2	109.6015	0.171	4	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9545	0.009	2	109.9545	0.000	2	109.6015	0.171	4	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3570	0.000	1	109.3570	0.000	1	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.2970	1.431	2	110.2970	2.048	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5225	0.299	2	109.3393	0.122	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1560	0.379	2	109.3393	0.122	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7180	0.011	2	109.7180	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4617	0.150	4	109.6980	0.030	15	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7400	0.081	3	109.6980	0.030	15	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7305	0.023	2	109.6980	0.030	15	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7922	0.043	4	109.6980	0.030	15	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8865	0.028	2	109.6980	0.030	15	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6130	0.128	3	109.6130	0.016	3	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2300	0.006	2	109.2300	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.8515	0.090	4	110.8515	0.008	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5120	0.017	2	109.6560	0.029	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8000	0.051	2	109.6560	0.029	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9315	0.013	2	109.2087	0.737	6	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.8835	0.025	2	109.2087	0.737	6	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.8110	1.611	2	109.2087	0.737	6	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0515	0.039	2	109.5305	0.332	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0095	0.279	2	109.5305	0.332	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	111.4005	0.042	2	111.4005	0.002	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8263	0.225	18	109.8263	0.050	18	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.6238	0.301	4	109.6238	0.091	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7320	0.027	2	109.7320	0.001	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2705	0.015	2	109.2705	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4360	0.000	1	109.4360	0.000	1	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4760	0.018	2	109.4760	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2235	0.043	4	109.2235	0.002	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3405	0.074	2	109.2122	0.024	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.0840	0.007	2	109.2122	0.024	4	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2745	0.016	2	109.2745	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7955	0.032	8	109.7955	0.001	8	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.4590	0.007	2	109.4590	0.000	2	109.6842	0.274	98	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.8380	0.047	2	109.8380	0.002	2	109.6397	0.578	19	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0520	0.000	1	110.0520	0.000	1	109.6397	0.578	19	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6548	0.081	4	109.6548	0.007	4	109.6397	0.578	19	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.2865	0.195	4	108.2865	0.038	4	109.6397	0.578	19	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.2076	0.123	8	110.2076	0.015	8	109.6397	0.578	19	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5280	0.295	3	109.5280	0.087	3	109.5280	0.087	3	109.6910	0.312	144	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4035	0.076	2	109.4035	0.006	2	109.4035	0.006	2	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8030	0.013	2	109.8030	0.000	2	109.8030	0.000	2	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	108.7755	0.441	2	108.7755	0.194	2	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	109.4867	0.076	3	109.4867	0.006	3	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0490	0.008	2	109.3897	0.070	6	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5605	0.006	2	109.3897	0.070	6	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5595	0.009	2	109.3897	0.070	6	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.9910	0.000	1	109.9910	0.000	1	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.2290	0.000	1	110.2290	0.000	1	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[5,6]C[6]H)	109.5250	0.123	4	109.5250	0.015	4	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.8885	0.076	2	109.8885	0.006	2	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.5405	4.088	2	108.5405	16.710	2	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	107.8175	2.944	2	107.8175	8.665	2	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6515	0.021	2	109.6515	0.000	2	109.2986	1.446	25	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	105.8035	0.217	2	105.8035	0.047	2	105.8035	0.047	2	109.1124	1.955	31	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1120	0.006	2	110.1120	0.000	2	110.3912	1.138	10	110.3912	1.138	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4890	0.074	2	109.4890	0.005	2	110.3912	1.138	10	110.3912	1.138	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.1007	0.107	3	110.1007	0.011	3	110.3912	1.138	10	110.3912	1.138	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	112.2275	1.112	2	112.2275	1.237	2	110.3912	1.138	10	110.3912	1.138	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:2:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9530	0.000	1	109.9530	0.000	1	110.3912	1.138	10	110.3912	1.138	10	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9035	0.047	2	109.9035	0.002	2	109.8180	0.011	4	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7325	0.005	2	109.7325	0.000	2	109.8180	0.011	4	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.5433	0.104	4	109.5433	0.011	4	109.7312	0.196	10	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.5130	0.004	2	110.5130	0.000	2	109.7312	0.196	10	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.5282	0.262	4	109.5282	0.069	4	109.7312	0.196	10	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.6765	0.060	2	109.6765	0.004	2	109.3835	0.119	6	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	109.3880	0.044	2	109.3880	0.002	2	109.3835	0.119	6	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.0860	0.491	2	109.0860	0.241	2	109.3835	0.119	6	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	111.0375	3.373	4	111.0375	11.377	4	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	110.0290	0.038	2	110.0290	0.001	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.6955	0.013	2	109.6955	0.000	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5295	0.013	2	109.5295	0.000	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	109.8618	0.057	4	109.8618	0.003	4	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.5000	0.051	2	109.5000	0.003	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9240	0.020	2	109.9240	0.000	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.8290	0.020	2	109.8290	0.000	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	106.1450	8.508	2	106.1450	72.385	2	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8680	0.000	1	109.8680	0.000	1	109.6856	6.344	23	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2845	0.446	2	109.2845	0.199	2	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.5752	0.298	4	109.5752	0.089	4	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4723	0.046	6	109.4723	0.002	6	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8075	0.009	2	109.8249	0.519	12	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7782	1.065	6	109.8249	0.519	12	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9038	0.035	4	109.8249	0.519	12	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7315	0.006	2	109.7315	0.000	2	109.6564	0.282	26	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	Se[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.6636	2.139	71	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.0025	0.050	2	110.2725	0.045	6	110.2594	0.033	8	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	110.4075	0.044	4	110.2725	0.045	6	110.2594	0.033	8	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.2200	0.020	2	110.2200	0.000	2	110.2594	0.033	8	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	109.9405	2.057	2	109.9405	4.231	2	109.9405	4.231	2	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2670	0.025	2	109.2670	0.001	2	109.6507	0.501	15	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5]){2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7730	0.020	2	109.7730	0.000	2	109.6507	0.501	15	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.2940	0.052	4	109.4248	0.025	9	109.6507	0.501	15	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5294	0.132	5	109.4248	0.025	9	109.6507	0.501	15	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:2:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|O<2>,1|W<7>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.9290	1.662	2	110.9290	2.761	2	109.6507	0.501	15	109.8687	0.559	25	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]2H)	109.8100	0.017	4	109.8100	0.000	4	109.8100	0.000	4	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]2H)	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]2H)	110.1090	0.021	2	110.1090	0.000	2	110.1090	0.000	2	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	H(C[6]C[5,6]2H)	109.5213	0.082	3	109.5213	0.007	3	109.5213	0.007	3	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.3775	2.698	2	110.3775	7.277	2	110.3775	7.277	2	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	111.4760	0.051	2	111.4760	0.003	2	110.5514	0.632	8	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.9580	0.768	2	110.9580	0.590	2	110.5514	0.632	8	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8255	0.037	2	109.8255	0.001	2	110.5514	0.632	8	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9460	0.021	2	109.9460	0.000	2	110.5514	0.632	8	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	109.4160	0.021	2	109.4160	0.000	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.6315	0.009	2	109.6315	0.000	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.4500	0.054	2	108.7107	0.205	3	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.2320	0.000	1	108.7107	0.205	3	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7165	0.012	2	109.7165	0.000	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4395	0.050	2	109.4395	0.003	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.2490	0.028	2	109.2490	0.001	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.7560	0.269	6	109.7560	0.072	6	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	109.3190	0.058	2	109.3190	0.003	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4480	0.041	2	109.3102	1.974	4	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.1725	2.418	2	109.3102	1.974	4	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0358	0.099	4	110.0358	0.010	4	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.7498	2.149	4	109.7498	4.617	4	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0035	0.033	2	110.0035	0.001	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.9260	0.013	2	109.9260	0.000	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0850	0.000	1	110.0850	0.000	1	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4880	0.028	2	109.4880	0.001	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0910	0.015	3	110.0910	0.000	3	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.0875	0.022	2	109.0875	0.000	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	110.5425	10.501	2	110.5425	110.276	2	109.6393	3.019	47	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:1:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.7924	2.350	68	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:3:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]O)	109.6320	0.313	4	109.6320	0.098	4	109.6320	0.098	4	109.6320	0.098	4	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	110.1030	0.000	1	110.1030	0.000	1	109.2382	0.441	5	109.2382	0.441	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.6390	0.000	1	108.6390	0.000	1	109.2382	0.441	5	109.2382	0.441	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.1497	0.564	3	109.1497	0.318	3	109.2382	0.441	5	109.2382	0.441	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7130	0.061	4	108.7130	0.004	4	108.8337	0.039	7	108.8337	0.039	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]O)	109.1700	0.000	1	109.1700	0.000	1	108.8337	0.039	7	108.8337	0.039	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.0470	0.000	1	109.0470	0.000	1	108.8337	0.039	7	108.8337	0.039	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.7670	0.000	1	108.7670	0.000	1	108.8337	0.039	7	108.8337	0.039	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]O)	108.9470	0.000	1	108.9470	0.000	1	108.7435	0.083	2	108.7787	0.045	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]O)	108.5400	0.000	1	108.5400	0.000	1	108.7435	0.083	2	108.7787	0.045	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	P[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]O)	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.7787	0.045	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:2:1:	4:4:3:	4:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]2O)	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]2C[6a])	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.0660	0.000	1	106.0660	0.000	1	106.7880	1.043	2	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.5100	0.000	1	107.5100	0.000	1	106.7880	1.043	2	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	H(C[6]C[5,6]C[6]N)	108.2095	1.143	2	108.2095	1.307	2	108.2095	1.307	2	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:S[6]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	H(C[6]C[5,6]S[6]C)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[5,6]S[6]C)	107.9950	0.000	1	107.9950	0.000	1	108.3950	0.320	2	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:3:1:	3:4:4:	4:	C[5,6]-3:S[6]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	H(C[6]C[5,6]S[6]C)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[5,6]S[6]C)	108.7950	0.000	1	108.7950	0.000	1	108.3950	0.320	2	107.3480	2.375	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:2:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.3345	0.337	2	106.3345	0.114	2	106.3345	0.114	2	106.3345	0.114	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]C)	108.3805	0.781	4	108.3805	0.610	4	108.1771	0.356	11	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	107.2700	0.000	1	107.2700	0.000	1	108.1771	0.356	11	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.6335	0.071	2	108.4017	0.073	4	108.1771	0.356	11	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	108.1700	0.000	2	108.4017	0.073	4	108.1771	0.356	11	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7745	0.011	2	107.7745	0.000	2	108.1771	0.356	11	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]Si)	107.5790	0.000	1	107.5790	0.000	1	107.6265	0.005	2	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:3:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]Si)	107.6740	0.000	1	107.6740	0.000	1	107.6265	0.005	2	108.0924	0.340	13	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]C)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.6670	0.000	2	106.6670	0.000	2	107.1694	0.238	5	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	107.2620	0.000	1	107.3925	0.034	2	107.1694	0.238	5	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]C)	107.5230	0.000	1	107.3925	0.034	2	107.1694	0.238	5	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.7280	0.000	1	107.7280	0.000	1	107.1694	0.238	5	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	3:4:4:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]2)	105.5240	0.000	1	105.5240	0.000	1	105.5240	0.000	1	107.0986	0.824	7	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]C)	105.0035	0.098	2	105.0035	0.010	2	105.0035	0.010	2	106.7623	1.890	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	4:3:4:	4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[5,6]C[6]2)	107.6418	0.229	4	107.6418	0.052	4	107.6418	0.052	4	106.7623	1.890	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.5755	1.376	4	107.5755	1.894	4	107.5755	1.894	4	106.9823	2.365	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]C)	104.8160	0.000	1	104.8160	0.000	1	105.7960	1.921	2	106.9823	2.365	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	3:4:4:1:	4:4:3:	4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.7760	0.000	1	106.7760	0.000	1	105.7960	1.921	2	106.9823	2.365	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	H(C[6]C[5,6]2H)	110.5225	0.090	2	110.5225	0.008	2	110.5225	0.008	2	110.5225	0.008	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5410	0.004	2	109.5410	0.000	2	109.5380	0.000	4	109.6225	0.009	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5350	0.023	2	109.5350	0.001	2	109.5380	0.000	4	109.6225	0.009	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.6647	0.093	8	109.6647	0.009	8	109.6647	0.009	8	109.6225	0.009	12	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|H<1>,5|C<4>}	H(C[6]C[3,6]C[5,6]H)	108.8990	1.752	2	108.8990	3.070	2	108.8990	3.070	2	108.9580	0.771	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	3:4:4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3,6]C[5,6]H)	108.9973	0.024	3	108.9973	0.001	3	108.9973	0.001	3	108.9580	0.771	5	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2{2|Cl<1>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[3,6]C[5,6]H)	109.4020	1.633	2	109.4020	2.668	2	109.4020	2.668	2	109.4020	2.668	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	110.2360	0.024	2	110.2587	0.001	4	110.2587	0.001	4	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	110.2815	0.018	2	110.2587	0.001	4	110.2587	0.001	4	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]2H)	109.5855	0.012	2	109.5855	0.000	2	109.5855	0.000	2	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	H(C[6]C[5,6]2H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5,6]2H)	110.0180	0.021	2	110.0180	0.000	2	110.0180	0.000	2	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.4078	0.148	4	109.4078	0.022	4	109.9307	0.218	12	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.7335	0.046	2	110.1921	0.099	8	109.9307	0.218	12	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.2675	0.008	2	110.1921	0.099	8	109.9307	0.218	12	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.5485	0.022	2	110.1921	0.099	8	109.9307	0.218	12	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.2190	0.025	2	110.1921	0.099	8	109.9307	0.218	12	109.9705	0.161	20	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]2O)	107.9975	0.537	2	107.9975	0.288	2	107.9975	0.288	2	107.9975	0.288	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5,6]2O)	108.3270	0.000	1	108.3270	0.000	1	108.4750	0.044	2	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]2O)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2O)	108.6230	0.000	1	108.6230	0.000	1	108.4750	0.044	2	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]O)	109.5190	0.000	1	109.7930	0.150	2	109.0883	0.716	4	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]O)	110.0670	0.000	1	109.7930	0.150	2	109.0883	0.716	4	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]O)	108.4630	0.000	1	108.4630	0.000	1	109.0883	0.716	4	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]O)	108.3040	0.000	1	108.3040	0.000	1	109.0883	0.716	4	108.8838	0.539	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]2C[6a])	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	107.8328	0.726	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.8320	0.000	1	108.3117	0.293	3	108.3117	0.293	3	107.8328	0.726	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.0515	0.425	2	108.3117	0.293	3	108.3117	0.293	3	107.8328	0.726	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	P[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8280	0.085	2	106.8280	0.007	2	106.8280	0.007	2	107.8328	0.726	6	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	H(C[6]C[5,6]2C[6a])	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	106.8100	0.619	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:P[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	H(C[6]C[5,6]2C[6a])	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	106.8100	0.619	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	106.8100	0.619	3	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	4:3:4:	4:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[4,5,6]C[5,6]C[6a])	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[4,5,6]C[5,6]C[6a])	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	107.2295	0.891	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]2C[6a])	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	107.2295	0.891	2	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]2C)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	H(C[6]C[5,6]2C)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]2C)	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	109.3475	1.196	976	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	2:4:3:1:	4:3:3:	4:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:N[5]-3:N[5]-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2	H(C[6]C[5]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2{1|C<3>,1|O<2>,6|H<1>}	H(C[6]C[5]C[6]O[6])	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[5]N[5]2)(C[6]C[6]H)2(H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2(H){2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])2(C[6]C[6]2H){4|H<1>,6|C<3>}	H(C[6]C[5]C[6]2)	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.5215	0.450	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(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[6a])(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	H(C[6]C[6,6a]2C[5])	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.5215	0.450	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:2:2:	4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:C[5]-2:S[5]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5])(S[5]C[5])	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5])(S[5]C[5]){3|C<3>,3|H<1>}	H(C[6]C[5,6]C[5]C[6])	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5]N[6]2)	108.0905	0.957	2	108.0905	0.915	2	108.0905	0.915	2	107.7353	0.392	6	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[5]-3:N[5]-3:	C[6]-4:	C[6](C[5]N[5]2)(N[6]N[6]H)2(H)	C[5](C[6]N[6]2H)(N[5]C[5]H)2	H(C[6]C[5]N[6]2)	C[6](C[5]N[5]2)(N[6]N[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[6]N[6]2H)(N[5]C[5]H)2{2|N<3>,4|H<1>}	H(C[6]C[5]N[6]2)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.7353	0.392	6	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.4510	0.000	1	107.1940	0.132	2	107.1940	0.132	2	107.7353	0.392	6	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	106.9370	0.000	1	107.1940	0.132	2	107.1940	0.132	2	107.7353	0.392	6	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:N[5]-3:N[5]-3:	C[6]-4:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6]H)(N[5]C[6a]C[5])(N[5]C[5]Re)	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[5](C[6]C[6]N[6]H)(N[5]C[6a]C[5])(N[5]C[5]Re){3|H<1>,4|C<3>}	H(C[6]C[5]C[6]N[6])	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	107.7353	0.392	6	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:3:1:	3:4:3:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	H(C[6]C[5]C[6]N[6])	107.3020	0.000	1	107.3020	0.000	1	107.5675	0.141	2	107.5675	0.141	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:3:1:	3:4:3:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5]C[6]N[6])	107.8330	0.000	1	107.8330	0.000	1	107.5675	0.141	2	107.5675	0.141	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:3:1:	4:3:3:	4:	C[5]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H){2|H<1>,4|C<4>}	H(C[6]C[5]N[6]2)	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:3:1:	4:4:2:	4:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:S[5]-2:	C[6]-4:	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5])	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5]){3|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	H(C[6]C[5]C[6]2)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:4:2:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[6]-4:	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	105.9075	10.193	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:4:2:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5]C[6]2)	103.6500	0.000	1	103.6500	0.000	1	103.6500	0.000	1	105.9075	10.193	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:4:3:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5]C[6]2)	103.8300	0.000	1	103.8300	0.000	1	106.5620	5.673	3	106.5620	5.673	3	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:4:3:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	108.2020	0.000	1	108.2020	0.000	1	106.5620	5.673	3	106.5620	5.673	3	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	3:4:3:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.6540	0.000	1	107.6540	0.000	1	106.5620	5.673	3	106.5620	5.673	3	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	4:3:2:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5]-3:O[5]-2:	C[6]-4:	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	4:3:3:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[6]-4:	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.5006	0.447	7	107.5006	0.200	7	107.5006	0.200	7	107.5006	0.200	7	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	3:4:4:1:	4:3:4:	4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	H(C[6]C[5]C[6]2)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:2:3:1:	4:4:3:	4:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	H(C[6]C[5]C[6]S[6])	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]S[6])	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5]C[6]2)	107.5280	0.182	3	107.5280	0.033	3	107.5280	0.033	3	107.5280	0.033	3	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:3:1:	4:2:2:	4:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6]-4:N[5]-2:O[5]-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5])	H(C[6]C[5]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5]C[6]N[6])	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[5]C[6])	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	106.6395	2.095	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	106.6395	2.095	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[5]C[6]2)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:C[5]-3:O[5]-2:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5]C[6]2)	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	108.1160	0.000	1	108.1160	0.000	1	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.4240	0.000	1	107.4240	0.000	1	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.2300	0.000	1	107.1770	0.046	5	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	H(C[6]C[5]C[6]2)	107.1680	0.000	1	107.1770	0.046	5	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.4910	0.000	1	107.1770	0.046	5	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	H(C[6]C[5]C[6]2)	106.9980	0.136	2	107.1770	0.046	5	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[5]C[6]2)	107.3460	0.000	1	107.3723	0.005	3	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[5]C[6]2)	107.3160	0.000	1	107.3723	0.005	3	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.4550	0.000	1	107.3723	0.005	3	107.3542	0.104	10	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	108.4695	0.756	2	108.4695	0.571	2	108.4695	0.571	2	107.5401	0.326	12	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	H(C[6]C[5]C[6]2)	107.0935	0.069	2	107.0935	0.005	2	107.0935	0.005	2	107.0935	0.005	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:2:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:N[5]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5]C[6]2)	107.6917	1.308	3	107.6917	1.711	3	107.6917	1.711	3	107.6917	1.711	3	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.6350	0.000	1	107.6350	0.000	1	107.7632	0.032	5	107.7632	0.032	5	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.7540	0.000	1	107.8787	0.012	3	107.7632	0.032	5	107.7632	0.032	5	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	H(C[6]C[5]C[6]2)	107.9410	0.028	2	107.8787	0.012	3	107.7632	0.032	5	107.7632	0.032	5	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	H(C[6]C[5]C[6]2)	107.5450	0.000	1	107.5450	0.000	1	107.7632	0.032	5	107.7632	0.032	5	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:N[5]-2:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[5]C[6])	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[5]C[6]2)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	108.2630	0.000	1	108.2630	0.000	1	108.1180	0.042	2	108.1180	0.042	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	951	0:SP3_SP-NON_SP2	C[6]	C[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.9730	0.000	1	107.9730	0.000	1	108.1180	0.042	2	108.1180	0.042	2	107.6012	2.077	63	109.2719	1.670	1127
466	818	956	0:SP3_SP2_SP2	C[6]	C[5,6]	N	3:4:3:1:	3:4:4:	4:3:1:	C[5,6]-3:C[6]-4:N-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	110.6905	0.691	2	110.6905	0.477	2	110.6905	0.477	2	110.6905	0.477	2	110.7867	0.254	4	110.7867	0.254	4
466	818	956	0:SP3_SP2_SP2	C[6]	C[5,6]	N	3:4:3:3:	3:3:4:	4:1:1:	C[5,6]-3:C[6]-4:N-3:N-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	N(C[6]C[5,6]C[6]N)(O)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	N(C[6]C[5,6]C[6]N)(O)2	110.8830	0.496	2	110.8830	0.246	2	110.8830	0.246	2	110.8830	0.246	2	110.7867	0.254	4	110.7867	0.254	4
466	818	961	6:SP3_SP2_SP3	C[6]	C[5,6]	S[6]	3:4:3:1:	3:4:4:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	110.0540	0.000	1	110.0540	0.000	1	110.1175	0.008	2	110.1175	0.008	2	110.1175	0.008	2	110.1175	0.008	2
466	818	961	6:SP3_SP2_SP3	C[6]	C[5,6]	S[6]	3:4:3:1:	3:4:4:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	110.1810	0.000	1	110.1810	0.000	1	110.1175	0.008	2	110.1175	0.008	2	110.1175	0.008	2	110.1175	0.008	2
466	818	983	0:SP3_SP1_SP2	C[6]	C[5]	C	4:3:3:2:	4:3:2:	4:1:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:N-1:	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5])	C(C[6]C[5]C[6]2)(N)	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[5]C[6]2)(N)	108.9200	0.014	2	108.9200	0.000	2	108.9200	0.000	2	108.9200	0.000	2	108.9200	0.000	2	108.9200	0.000	2
466	818	999	0:SP3_SP2_SP3	C[6,6]	C[5,6]	N[5,6]	4:3:4:1:	4:4:3:	4:4:4:4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1
466	826	951	0:SP3_SP-NON_SP3	C[6]	As[6]	H	4:4:1:1:	4:4:4:4:	4:	As[6]-4:C[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2	H(C[6]As[6]C[6]H)	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2{5|C<4>}	H(C[6]As[6]C[6]H)	107.4537	0.247	4	107.4537	0.061	4	107.4537	0.061	4	107.4537	0.061	4	107.4537	0.061	4	107.4537	0.061	4
466	830	830	0:SP3_SP-NON_SP-NON	C[6,6]	F	F	4:4:1:1:	4:	4:	P[3x6]-4:P[3x6]-4:F-1:F-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]O[6,6]2S)2(F)2	F(C[6,6]P[3x6]2F)	F(C[6,6]P[3x6]2F)	C[6,6](P[3x6]O[6,6]2S)2(F)2{2|P<4>}	F(C[6,6]P[3x6]2F)	F(C[6,6]P[3x6]2F)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	2:2:1:1:	4:	4:	N[6]-2:N[6]-2:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6])2(F)2	F(C[6]N[6]2F)	F(C[6]N[6]2F)	C[6](N[6]C[6])2(F)2{1|N<2>,2|F<1>}	F(C[6]N[6]2F)	F(C[6]N[6]2F)	101.0920	0.000	1	101.0920	0.000	1	101.0920	0.000	1	101.0920	0.000	1	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2{1|H<1>,2|C<3>}	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	105.5550	0.000	1	105.5550	0.000	1	105.4875	0.009	2	105.4875	0.009	2	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2{1|H<1>,4|C<3>}	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	105.4200	0.000	1	105.4200	0.000	1	105.4875	0.009	2	105.4875	0.009	2	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	106.0172	0.192	5	106.0172	0.037	5	105.7633	0.222	7	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	F(C[6]C[6,6a]C[6]F)	F(C[6]C[6,6a]C[6]F)	105.1285	0.231	2	105.1285	0.053	2	105.7633	0.222	7	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2{1|O<1>,2|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.9320	0.000	1	106.9320	0.000	1	106.7190	0.091	2	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2{2|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.5060	0.000	1	106.5060	0.000	1	106.7190	0.091	2	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	106.9820	0.000	1	106.9820	0.000	1	106.0910	0.431	5	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	106.3270	0.000	1	106.0933	0.063	3	106.0910	0.431	5	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	105.9765	0.209	2	106.0933	0.063	3	106.0910	0.431	5	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	F(C[6]N[5a,6]C[6]F)	F(C[6]N[5a,6]C[6]F)	105.1930	0.000	1	105.1930	0.000	1	106.0910	0.431	5	106.0169	0.355	14	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)2	F(C[6]C[6]O[6]F)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]O[6]F)	F(C[6]C[6]O[6]F)	107.0060	0.000	1	107.0060	0.000	1	106.3705	0.808	2	106.3705	0.808	2	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2	F(C[6]C[6]O[6]F)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2{1|H<1>,1|O<2>,4|C<3>}	F(C[6]C[6]O[6]F)	F(C[6]C[6]O[6]F)	105.7350	0.000	1	105.7350	0.000	1	106.3705	0.808	2	106.3705	0.808	2	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	104.4880	0.000	1	104.4880	0.000	1	103.7313	0.442	3	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	103.3530	0.160	2	103.3530	0.026	2	103.7313	0.442	3	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2{1|C<4>,4|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.0990	0.000	1	105.0990	0.000	1	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.0970	0.239	2	107.0970	0.057	2	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<3>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.6770	0.000	1	105.1373	0.331	3	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.8675	0.474	2	105.1373	0.331	3	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2{3|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.3965	0.187	2	105.3965	0.035	2	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2{1|C<3>,1|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.3630	0.000	1	105.3630	0.000	1	105.6512	0.781	9	105.1713	1.402	12	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2	F(C[6]C[5,3x6]C[6]F)	F(C[6]C[5,3x6]C[6]F)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2{1|C<4>,2|F<1>,6|C<3>}	F(C[6]C[5,3x6]C[6]F)	F(C[6]C[5,3x6]C[6]F)	105.9020	0.494	2	105.9020	0.244	2	105.9020	0.244	2	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	F(C[6]C[5,6]C[6,6]F)	F(C[6]C[5,6]C[6,6]F)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	F(C[6]C[5,6]C[6,6]F)	F(C[6]C[5,6]C[6,6]F)	105.3470	0.000	1	105.3470	0.000	1	105.3470	0.000	1	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	106.7940	0.000	1	106.7940	0.000	1	106.6220	0.094	4	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	106.6040	0.482	2	106.5647	0.121	3	106.6220	0.094	4	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	F(C[6]C[5,6]C[6]F)	F(C[6]C[5,6]C[6]F)	106.4860	0.000	1	106.5647	0.121	3	106.6220	0.094	4	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	104.0320	0.000	2	104.0320	0.000	2	104.8287	0.321	12	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	105.0470	0.000	1	104.6140	0.375	2	104.8287	0.321	12	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	104.1810	0.000	1	104.6140	0.375	2	104.8287	0.321	12	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	104.3360	0.000	1	104.3360	0.000	1	104.8287	0.321	12	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	F(C[6]C[6,6]C[6]F)	F(C[6]C[6,6]C[6]F)	105.1881	0.328	7	105.1881	0.108	7	104.8287	0.321	12	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.7665	0.193	2	108.7665	0.037	2	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.2870	0.014	2	104.2870	0.000	2	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2{2|C<3>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.9574	0.793	5	107.9574	0.628	5	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.0500	0.362	2	108.0500	0.131	2	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.7080	0.115	2	104.3308	0.190	6	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.1423	0.412	4	104.3308	0.190	6	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.3198	1.125	10	107.3198	1.265	10	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2{1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.2080	0.000	1	106.2080	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.4002	0.359	8	106.4002	0.129	8	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.0050	0.182	4	108.0050	0.033	4	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.6191	0.410	7	106.6928	0.187	8	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.2080	0.000	1	106.6928	0.187	8	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.8645	0.175	2	107.2373	0.432	3	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.9830	0.000	1	107.2373	0.432	3	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,1|O<2>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.4575	0.302	15	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,3|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.7780	0.058	2	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.8770	0.000	1	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,1|O<1>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.0585	0.146	2	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|F<1>,2|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.5625	0.115	4	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.8030	0.000	1	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.1029	0.446	15	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|N<3>,2|C<3>,2|C<4>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.7860	0.000	1	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<1>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.6725	0.207	4	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<2>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.0446	0.235	5	107.7142	0.411	50	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	109.4355	2.363	6	108.6387	9.096	7	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|H<1>,3|C<4>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	103.8580	0.000	1	108.6387	9.096	7	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.1037	0.324	4	104.3847	0.570	7	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|N<4>,4|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.7593	1.089	3	104.3847	0.570	7	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.9310	0.173	2	104.9310	0.030	2	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	105.9280	0.000	1	105.9280	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.4242	0.751	16	107.4242	0.565	16	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.1445	0.035	2	107.1445	0.001	2	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	104.8500	0.000	1	104.8500	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2{2|C<3>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.5350	0.000	1	106.5350	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.0670	0.000	1	106.0670	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.4830	0.000	1	106.4830	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2{1|C<3>,1|H<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.5340	0.000	1	106.5340	0.000	1	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|C<3>,4|O<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	106.7160	0.000	1	107.7018	0.853	4	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|C<4>,4|O<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	108.8770	0.000	1	107.7018	0.853	4	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]2F)	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|N<2>,4|O<1>}	F(C[6]C[6]2F)	F(C[6]C[6]2F)	107.6070	0.433	2	107.7018	0.853	4	107.1233	2.070	145	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{1|C<4>,1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	107.7760	0.188	2	108.1458	1.657	4	107.9823	0.883	8	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{2|Br<1>,1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	108.5155	2.095	2	108.1458	1.657	4	107.9823	0.883	8	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2{1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	F(C[6]C[6]S[6]F)	107.8187	0.576	4	107.8187	0.332	4	107.9823	0.883	8	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	830	0:SP3_SP-NON_SP-NON	C[6]	F	F	4:4:1:1:	4:	4:	N[5,6]-4:B[5,6]-4:F-1:F-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2	F(C[6]B[5,6]N[5,6]F)	F(C[6]B[5,6]N[5,6]F)	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2{2|C<3>,4|C<4>,4|H<1>}	F(C[6]B[5,6]N[5,6]F)	F(C[6]B[5,6]N[5,6]F)	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	106.9582	2.225	173	106.7394	2.372	205	106.7486	2.378	206
466	830	849	0:SP3_SP-NON_SP3	C[6,6]	F	P[3x6]	4:4:1:1:	4:	4:2:2:1:	P[3x6]-4:P[3x6]-4:F-1:F-1:	C[6,6]-4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:S-1:	C[6,6](P[3x6]O[6,6]2S)2(F)2	F(C[6,6]P[3x6]2F)	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S)	C[6,6](P[3x6]O[6,6]2S)2(F)2{2|P<4>}	F(C[6,6]P[3x6]2F)	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S){1|C<4>,2|O<2>,3|S<1>}	108.6543	0.205	4	108.6543	0.042	4	108.6543	0.042	4	108.6543	0.042	4	108.6543	0.042	4	108.6382	0.026	6
466	830	849	0:SP3_SP-NON_SP3	C[6]	F	P[6]	4:4:1:1:	4:	4:2:1:1:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	F(C[6]C[6]P[6]H)	P[6](C[6]C[6]FH)(O[6]C[6])(O)2	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	F(C[6]C[6]P[6]H)	P[6](C[6]C[6]FH)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	108.6060	0.000	2	108.6060	0.000	2	108.6060	0.000	2	108.6060	0.000	2	108.6060	0.000	2	108.6382	0.026	6
466	830	914	0:SP3_SP-NON_SP2	C[6]	F	N[6]	2:2:1:1:	4:	4:3:	N[6]-2:N[6]-2:F-1:F-1:	C[6]-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6])2(F)2	F(C[6]N[6]2F)	N[6](C[6]N[6]FF)(C[6]N[6]F)	C[6](N[6]C[6])2(F)2{1|N<2>,2|F<1>}	F(C[6]N[6]2F)	N[6](C[6]N[6]FF)(C[6]N[6]F){1|C<3>}	108.4145	0.272	4	108.4145	0.074	4	108.4145	0.074	4	108.4145	0.074	4	108.4145	0.074	4	108.4145	0.074	4
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	3:4:3:1:	4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	F(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]F)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	F(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]F)(OH)(O)	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	106.1420	3.251	2	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	3:4:3:1:	4:	4:2:1:	C[6]-3:C[6]-4:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	104.8670	0.000	1	104.8670	0.000	1	104.8670	0.000	1	106.1420	3.251	2	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F){1|C<4>,3|H<1>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	106.5534	0.463	5	106.5534	0.215	5	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F){3|C<3>,3|H<1>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	108.7550	0.000	1	108.7550	0.000	1	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F){1|F<1>,1|H<1>,4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	108.4490	0.000	1	108.4490	0.000	1	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	109.9730	0.000	1	109.9730	0.000	1	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F){1|S<4>,4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	106.4950	0.000	1	106.4950	0.000	1	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F){4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	110.1110	0.000	1	110.1110	0.000	1	107.6550	2.391	10	107.6550	2.391	10	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(CH3)(O)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:4:3:1:	4:	4:2:1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F){3|C<3>,4|H<1>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	109.6320	0.000	1	109.6320	0.000	1	107.5035	9.061	2	107.5035	9.061	2	107.4331	2.694	15	107.4331	2.694	15
466	830	930	0:SP3_SP-NON_SP2	C[6]	F	C	4:4:3:1:	4:	4:2:1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	F(C[6]C[6]2C)	C(C[6]C[6]2F)(OC)(O)	105.3750	0.000	1	105.3750	0.000	1	107.5035	9.061	2	107.5035	9.061	2	107.4331	2.694	15	107.4331	2.694	15
466	830	951	0:SP3_SP-NON_SP-NON	C[6,6]	F	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	106.0040	0.000	1	106.0040	0.000	1	108.6621	22.704	7	108.6621	22.704	7	108.8079	19.631	8	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6,6]	F	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	105.6883	0.722	3	105.6883	0.521	3	108.6621	22.704	7	108.6621	22.704	7	108.8079	19.631	8	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6,6]	F	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]F)	112.5220	5.334	3	112.5220	28.446	3	108.6621	22.704	7	108.6621	22.704	7	108.8079	19.631	8	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6,6]	F	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	F(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2F)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	F(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2F)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	108.8079	19.631	8	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	F(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]F)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	F(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]F)	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	F(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	F(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]F)	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	107.9940	0.000	1	107.9940	0.000	1	108.9540	0.457	5	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	108.5180	0.000	1	108.5180	0.000	1	108.9540	0.457	5	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	F(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]F)	109.4193	0.181	3	109.4193	0.033	3	108.9540	0.457	5	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	109.1566	0.349	8	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	F(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]F)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	F(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]F)	107.9518	1.537	5	107.9518	2.364	5	108.1799	1.730	7	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	F(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]F)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	F(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]F)	108.7500	0.126	2	108.7500	0.016	2	108.1799	1.730	7	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	108.8920	0.000	1	109.1140	0.705	5	109.1140	0.705	5	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	108.6520	0.201	2	109.1140	0.705	5	109.1140	0.705	5	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	110.5940	0.000	1	109.1140	0.705	5	109.1140	0.705	5	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]F)	108.7800	0.000	1	109.1140	0.705	5	109.1140	0.705	5	108.5691	1.431	12	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H){1|C<3>,2|C<4>,4|H<1>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.0135	1.388	2	108.0135	1.927	2	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0320	0.000	1	109.0320	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2130	0.000	1	109.2130	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3580	0.000	1	109.3580	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.4785	0.293	2	108.4785	0.086	2	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	107.6150	0.000	1	107.6150	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.8810	0.000	1	108.8810	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	107.1720	0.000	1	107.1720	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.9400	0.000	1	108.9400	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.8710	0.000	1	108.8710	0.000	1	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	110.2090	0.133	2	110.2090	0.018	2	108.7489	0.925	14	108.8659	1.065	15	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	F(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]F)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	F(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]F)	107.0630	1.845	4	107.0630	3.405	4	107.3163	3.553	6	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	F(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]F)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]F)	107.8230	2.604	2	107.8230	6.779	2	107.3163	3.553	6	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	F(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]F)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	F(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]F)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	F(C[6]C[5,6]2H)	H(C[6]C[5,6]2F)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	F(C[6]C[5,6]2H)	H(C[6]C[5,6]2F)	107.4550	0.000	1	107.4550	0.000	1	107.4550	0.000	1	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	109.3220	0.000	1	109.3220	0.000	1	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	108.5007	0.385	3	108.5007	0.148	3	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	109.4130	0.321	2	108.9123	0.376	4	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	108.4115	0.144	2	108.9123	0.376	4	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	109.6534	0.076	8	109.6534	0.006	8	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	109.9480	0.113	2	109.9480	0.013	2	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]F)	110.0360	0.081	7	110.0360	0.007	7	109.5139	0.355	25	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	108.3670	0.000	1	108.3670	0.000	1	108.9430	0.325	3	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]F)	109.2310	0.390	2	109.2310	0.152	2	108.9430	0.325	3	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.3275	0.397	2	108.3275	0.157	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3090	0.028	2	109.3090	0.001	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]FH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0585	0.053	2	109.0585	0.003	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.6150	0.892	2	109.6150	0.796	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.2950	0.000	1	108.8743	0.323	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.8970	0.000	1	108.8743	0.323	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.4310	0.000	1	108.8743	0.323	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0650	0.000	1	109.0650	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.1870	0.422	3	109.1870	0.178	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.2557	0.785	20	108.2557	0.617	20	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0450	0.130	2	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3730	0.071	2	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.7622	0.234	4	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.7907	0.180	3	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0945	0.221	2	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.7108	0.300	18	108.8142	0.097	31	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	107.9755	0.807	2	108.9592	0.314	14	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.1416	0.366	7	108.9592	0.314	14	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.1492	0.320	4	108.9592	0.314	14	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.8900	0.000	1	108.9592	0.314	14	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.7875	0.460	2	109.7875	0.212	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.5855	0.710	4	109.7130	0.459	5	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	110.2230	0.000	1	109.7130	0.459	5	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.8623	0.467	4	109.8623	0.218	4	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.7780	0.176	4	109.0727	0.603	22	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.6432	0.521	14	109.0727	0.603	22	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.8708	0.799	4	109.0727	0.603	22	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	104.3735	1.138	2	106.0400	8.979	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3730	0.000	1	106.0400	8.979	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.7210	0.000	1	108.0407	1.752	13	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2950	0.042	2	108.0407	1.752	13	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	107.4994	1.222	9	108.0407	1.752	13	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.7230	0.000	1	108.0407	1.752	13	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.5210	0.856	2	109.5210	0.732	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.4150	0.000	1	109.3075	0.023	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2000	0.000	1	109.3075	0.023	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.1270	0.000	1	109.1270	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.4240	0.000	1	109.3912	0.465	4	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.1270	1.004	2	109.3912	0.465	4	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)(H){1|N<4>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.8870	0.000	1	109.3912	0.465	4	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3190	0.033	2	109.3190	0.001	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	110.3430	0.000	1	110.3430	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	110.2470	0.072	2	110.2470	0.005	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.3733	0.109	3	109.3733	0.012	3	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2278	0.379	4	109.1984	0.144	9	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	108.7195	0.139	2	109.1984	0.144	9	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.4787	0.011	3	109.1984	0.144	9	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.5930	0.000	1	109.5930	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.2200	0.250	2	109.2200	0.063	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.0820	0.253	2	109.0820	0.064	2	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.4540	0.000	1	109.4540	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	H(C[6]C[6]2F)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	F(C[6]C[6]2H)	H(C[6]C[6]2F)	109.7120	0.000	1	109.7120	0.000	1	108.8863	0.895	162	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	951	0:SP3_SP-NON_SP-NON	C[6]	F	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	F(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]F)	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	F(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]F)	109.0810	0.000	2	109.0810	0.000	2	109.0810	0.000	2	108.9154	0.994	200	108.8993	0.989	237	108.8963	1.520	245
466	830	956	0:SP3_SP-NON_SP3	C[6]	F	N	3:3:3:1:	4:	4:4:4:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F)	F(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]F)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){1|C<4>,1|H<1>,2|C<3>}	F(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]F)(SC[6a]OO)2	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1
466	830	961	0:SP3_SP-NON_SP3	C[6]	F	S[6]	4:4:1:1:	4:	4:2:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:N[6]-2:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2	F(C[6]C[6]S[6]F)	S[6](C[6]C[6]FF)(N[6]S[6])(O)2	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2{1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	S[6](C[6]C[6]FF)(N[6]S[6])(O)2{1|C<4>,2|F<1>,2|O<1>}	109.3268	0.922	8	109.3268	0.851	8	109.3268	0.851	8	109.3268	0.851	8	108.7133	2.475	16	108.7133	2.475	16
466	830	961	0:SP3_SP-NON_SP3	C[6]	F	S[6]	4:4:1:1:	4:	4:3:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]S[6]F)	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{1|C<4>,1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2{1|C<4>,2|F<1>,2|O<1>}	108.5958	1.266	4	108.5958	1.602	4	108.5958	1.602	4	108.5958	1.602	4	108.7133	2.475	16	108.7133	2.475	16
466	830	961	0:SP3_SP-NON_SP3	C[6]	F	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]S[6]F)	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{2|Br<1>,1|S<4>,2|F<1>}	F(C[6]C[6]S[6]F)	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2{1|C<4>,2|F<1>,2|O<1>}	107.6040	2.475	4	107.6040	6.128	4	107.6040	6.128	4	107.6040	6.128	4	108.7133	2.475	16	108.7133	2.475	16
466	830	992	0:SP3_SP-NON_SP3	C[6]	F	P	4:3:4:1:	4:	3:3:4:1:	C[6]-4:C[6]-3:P-4:F-1:	C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F)	F(C[6]C[6]2P)	P(C[6a]C[6a]2)2(C[6]C[6]2F)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F){1|C<4>,4|H<1>}	F(C[6]C[6]2P)	P(C[6a]C[6a]2)2(C[6]C[6]2F)(O)	105.4235	0.063	2	105.4235	0.004	2	105.4235	0.004	2	105.4235	0.004	2	105.4235	0.004	2	105.4235	0.004	2
466	830	999	0:SP3_SP-NON_SP3	C[6]	F	N[5,6]	4:4:1:1:	4:	3:4:4:4:	N[5,6]-4:B[5,6]-4:F-1:F-1:	C[6]-4:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2	F(C[6]B[5,6]N[5,6]F)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2{2|C<3>,4|C<4>,4|H<1>}	F(C[6]B[5,6]N[5,6]F)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	104.3635	0.859	2	104.3635	0.738	2	104.3635	0.738	2	104.3635	0.738	2	104.3635	0.738	2	104.3635	0.738	2
466	846	856	6:SP3_SP2_SP2	C[6]	C[4,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,4|C<3>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){3|C<3>}	107.3440	0.000	1	107.3440	0.000	1	107.4635	0.029	2	107.4635	0.029	2	107.4635	0.029	2	107.4635	0.029	2
466	846	856	6:SP3_SP2_SP2	C[6]	C[4,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO){5|C<3>}	107.5830	0.000	1	107.5830	0.000	1	107.4635	0.029	2	107.4635	0.029	2	107.4635	0.029	2	107.4635	0.029	2
466	846	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	3:3:1:1:	3:4:3:	4:4:4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]C)	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]C){1|Si<4>,1|C<4>,1|S<4>,2|F<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	106.9835	0.702	2	106.9835	0.493	2	106.7683	0.385	3	106.7683	0.385	3	106.7683	0.385	3	106.7683	0.385	3
466	846	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	3:3:1:1:	3:4:3:	4:4:4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]H)	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]H){1|Si<4>,1|C<4>,1|S<4>,2|F<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	106.3380	0.000	1	106.3380	0.000	1	106.7683	0.385	3	106.7683	0.385	3	106.7683	0.385	3	106.7683	0.385	3
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	3:3:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,4|C<3>}	H(C[6]C[4,6]N[6]H)	110.1640	0.011	2	110.1870	0.001	4	110.1870	0.001	4	110.1870	0.001	4	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	3:3:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[6a]C[4])(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,4|C<3>}	H(C[6]C[4,6]N[6]H)	110.2100	0.024	2	110.1870	0.001	4	110.1870	0.001	4	110.1870	0.001	4	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	3:4:3:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]C)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]C){1|Si<4>,1|C<4>,1|S<4>,2|F<1>}	H(C[6]C[4,6]N[6]H)	110.2943	0.134	4	110.2943	0.018	4	110.3490	0.018	6	110.3490	0.018	6	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	3:4:3:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[6]N[6]HH)(C[4]C[4]H){1|Si<4>,1|C<4>,1|S<4>,2|F<1>}	H(C[6]C[4,6]N[6]H)	110.4585	0.036	2	110.4585	0.001	2	110.3490	0.018	6	110.3490	0.018	6	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	4:3:4:	4:	C[4,6]-3:C[6,6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[4,6]C[6,6]H)	109.9070	0.046	4	109.9070	0.002	4	109.9070	0.002	4	109.8062	0.077	12	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:3:1:1:	4:3:4:	4:	C[4,6]-3:C[6]-3:H-1:H-1:	C[4,4]-4:C[4,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2	C[4,6](C[4,4]C[4,4]C[4,6]C)(C[4,6]C[4,4]C[6])(C[6]C[6]HH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[4,6](C[4,4]C[4,4]C[4,6]C)(C[4,6]C[4,4]C[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	109.7558	0.335	8	109.7558	0.112	8	109.7558	0.112	8	109.8062	0.077	12	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:4:1:1:	4:3:4:	4:	C[4,6]-3:C[6,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4,6]C[6,6]H)	110.2687	0.076	7	110.2687	0.006	7	110.2687	0.006	7	110.2687	0.006	7	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	3:4:4:1:	4:3:4:	4:	C[4,6]-3:C[6]-4:C-4:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]C)	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	110.0865	0.831	32	110.0865	0.831	32
466	846	951	0:SP3_SP-NON_SP2	C[6]	C[4,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[4,6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]C)	H(C[6]C[4,6]C[5,6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[4,6]C[5,6]H)	110.9935	4.313	2	110.9935	18.599	2	110.9935	18.599	2	110.9935	18.599	2	110.0865	0.831	32	110.0865	0.831	32
466	849	849	0:SP3_SP3_SP3	C[6,6]	P[6]	P[6]	3:4:4:4:	4:2:1:1:	4:2:1:1:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	C[6,6]-4:O[6]-2:O-1:O-1:	C[6,6]-4:O[6]-2:O-1:O-1:	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	115.5975	0.210	2	115.5975	0.044	2	115.5975	0.044	2	115.5975	0.044	2	115.5975	0.044	2	115.5975	0.044	2
466	849	849	6:SP3_SP3_SP3	C[6,6]	P[3x6]	P[3x6]	4:4:1:1:	4:2:2:1:	4:2:2:1:	P[3x6]-4:P[3x6]-4:F-1:F-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:S-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:S-1:	C[6,6](P[3x6]O[6,6]2S)2(F)2	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S)	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S)	C[6,6](P[3x6]O[6,6]2S)2(F)2{2|P<4>}	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S){1|C<4>,2|O<2>,3|S<1>}	P[3x6](C[6,6]P[3x6]FF)(O[6,6]P[3x6])2(S){1|C<4>,2|O<2>,3|S<1>}	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6,6]	P[6,6]	P[6,6]	4:4:1:1:	4:4:3:3:	4:4:3:3:	P[6,6]-4:P[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2{2|C<4>,2|H<1>,8|C<3>}	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2{1|C<4>,2|O<2>,2|P<4>,4|H<1>,6|C<3>}	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2{1|C<4>,2|O<2>,2|P<4>,4|H<1>,6|C<3>}	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6,6]	P[6]	P[6]	2:3:4:4:	4:2:2:1:	4:2:2:1:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:O-2:O-1:	C[6,6]-4:O[6]-2:O-2:O-1:	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6]	P[6]	P[6]	4:4:1:1:	3:3:4:2:	3:3:4:2:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](P[6]C[6a]2O[6])2(H)2	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6])	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6])	C[6](P[6]C[6a]2O[6])2(H)2{1|B<4>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6]){1|O<2>,2|F<1>,4|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6]){1|O<2>,2|F<1>,4|H<1>,6|C<3>}	108.7000	0.000	1	108.7000	0.000	1	110.0665	3.735	2	110.0665	3.735	2	113.0156	10.114	5	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6]	P[6]	P[6]	4:4:1:1:	3:3:4:2:	3:3:4:2:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](P[6]C[6a]2O[6])2(H)2	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6])	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6])	C[6](P[6]C[6a]2O[6])2(H)2{1|Nb<6>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6]){1|O<1>,1|O<2>,3|F<1>,4|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6]){1|O<1>,1|O<2>,3|F<1>,4|H<1>,6|C<3>}	111.4330	0.000	1	111.4330	0.000	1	110.0665	3.735	2	110.0665	3.735	2	113.0156	10.114	5	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6]	P[6]	P[6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6](P[6]C[6]OO)2(H)2	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	C[6](P[6]C[6]OO)2(H)2{1|C<4>,4|H<1>}	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.2070	0.000	1	116.2070	0.000	1	114.9817	3.865	3	114.9817	3.865	3	113.0156	10.114	5	114.2804	10.628	8
466	849	849	6:SP3_SP3_SP3	C[6]	P[6]	P[6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6](P[6]C[6]OO)2(H)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	C[6](P[6]C[6]OO)2(H)2{1|O<2>,4|H<1>}	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	114.3690	2.341	2	114.3690	5.478	2	114.9817	3.865	3	114.9817	3.865	3	113.0156	10.114	5	114.2804	10.628	8
466	849	854	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	112.0820	3.075	2
466	849	854	6:SP3_SP3_SP3	C[6]	P[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:P[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	P[6](C[6]N[6]HH)(O[6]C[6])(O)2	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	P[6](C[6]N[6]HH)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	112.0820	3.075	2
466	849	856	6:SP3_SP2_SP3	C[6]	P[6]	N[6]	4:3:4:1:	3:4:2:1:	4:3:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	110.4870	0.361	2	110.9267	1.017	6	110.0589	1.982	10	110.0589	1.982	10	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	111.1465	1.208	4	110.9267	1.017	6	110.0589	1.982	10	110.0589	1.982	10	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){1|Co<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	108.9160	0.574	2	108.7572	0.485	4	110.0589	1.982	10	110.0589	1.982	10	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	108.5985	1.012	2	108.7572	0.485	4	110.0589	1.982	10	110.0589	1.982	10	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:2:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(NP)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(NP){1|Pd<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	108.2668	0.596	4	108.2668	0.355	4	108.2668	0.355	4	108.2668	0.355	4	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:1:1:	4:4:4:3:	4:4:4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(NPdC)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(NPdC){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	108.8040	0.415	3	108.8040	0.173	3	108.8040	0.173	3	108.8040	0.173	3	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:3:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:4:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	106.1060	0.000	1	106.1060	0.000	1	106.9890	1.559	2	106.9890	1.559	2	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[3x6]	4:3:4:1:	4:4:4:1:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	107.8720	0.000	1	107.8720	0.000	1	106.9890	1.559	2	106.9890	1.559	2	109.1964	2.230	20	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[3x6]	N[6,6]	4:3:1:1:	4:4:4:4:	4:4:4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:P[3x6]-4:C-4:	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2	P[3x6](C[6,6]N[6,6]HH)3(BH3)	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3)	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2{1|B<4>,2|N<3>,4|H<1>}	P[3x6](C[6,6]N[6,6]HH)3(BH3){1|P<4>,3|C<4>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3){1|B<4>,4|C<4>}	111.9335	0.486	2	111.9335	0.236	2	111.9335	0.236	2	111.9335	0.236	2	111.9335	0.236	2	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[6]	N[6,6]	3:4:3:1:	4:3:3:3:	4:4:4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	106.1170	3.454	2	106.1170	11.927	2	106.1170	11.927	2	106.1170	11.927	2	107.7303	5.651	6	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6,6]	P[6]	N[6,6]	3:4:4:4:	4:2:1:1:	4:4:1:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	C[6,6]-4:O[6]-2:O-1:O-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	N[6,6](C[6,6]P[6]2C)2(H)	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	N[6,6](C[6,6]P[6]2C)2(H){2|O<2>,8|O<1>}	108.5370	1.685	4	108.5370	2.840	4	108.5370	2.840	4	108.5370	2.840	4	107.7303	5.651	6	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6]	P[6]	N[6]	3:4:3:1:	4:2:1:1:	4:4:1:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:O-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.5927	0.451	6	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6]	P[6]	N[6]	4:3:1:1:	4:3:3:4:	4:4:4:	P[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH)	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH){4|C<3>,4|C<4>,5|H<1>}	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.5927	0.451	6	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6]	P[6]	N[6]	4:3:3:1:	4:3:2:1:	4:4:1:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-1:	C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	107.5927	0.451	6	108.8157	3.379	34
466	849	856	6:SP3_SP3_SP3	C[6]	P[6]	N[6]	4:3:4:1:	3:4:2:1:	4:4:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	107.2160	0.226	3	107.2160	0.051	3	107.2160	0.051	3	107.2160	0.051	3	107.5927	0.451	6	108.8157	3.379	34
466	849	857	6:SP3_SP2_SP3	C[3x6]	P[6,6]	Ge[4,6,6]	3:3:4:1:	4:3:4:4:	4:4:3:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C-4:C-4:	C[4,6,6]-4:C[3x6]-4:N[4]-3:	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si)	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2{1|C<3>,1|C<4>,2|N<3>}	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si){1|N<2>,2|C<3>,2|N<3>,4|C<4>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	117.7420	0.372	2	117.7420	0.138	2	118.7500	2.651	8	118.6445	3.487	10	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	118.7430	1.735	2	118.7430	3.011	2	118.7500	2.651	8	118.6445	3.487	10	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	120.8605	1.394	2	120.8605	1.942	2	118.7500	2.651	8	118.6445	3.487	10	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	117.6545	0.350	2	117.6545	0.123	2	118.7500	2.651	8	118.6445	3.487	10	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:3:	3:3:4:4:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Ge[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ge<3>,4|H<1>,8|C<3>}	118.2225	3.519	2	118.2225	12.385	2	118.2225	12.385	2	118.6445	3.487	10	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	3:3:4:4:	4:4:1:1:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	P[6]-4:C[6]-4:H-1:H-1:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH){1|P<4>,4|C<3>,8|H<1>}	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	4:3:3:4:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<4>,4|H<1>,8|C<3>}	121.2335	5.721	2	121.2335	32.732	2	121.2335	32.732	2	119.6570	14.289	4	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	4:3:3:4:	3:3:4:4:	P[6]-4:B[6]-4:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|H<1>,8|C<3>}	118.0805	0.441	2	118.0805	0.194	2	118.0805	0.194	2	119.6570	14.289	4	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	4:3:3:4:	4:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	P[6]-4:C[6a]-3:C[6]-4:C-4:	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	119.6447	0.896	3	119.6447	0.802	3	119.6447	0.802	3	119.6447	0.802	3	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:1:1:	4:4:4:4:	3:3:4:4:	B[6]-4:P[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|C<3>,4|C<4>,4|H<1>}	124.0097	3.536	4	124.0097	12.500	4	124.0097	12.500	4	124.0097	12.500	4	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:4:1:	3:3:4:2:	3:3:3:4:	B[6]-4:P[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6])	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6]){1|N<3>,4|F<1>,6|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	117.9036	27.643	26	117.9036	27.643	26
466	849	874	6:SP3_SP3_SP3	C[6]	P[6]	B[6]	4:4:4:1:	3:3:4:4:	4:4:1:1:	P[6]-4:B[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	P[6]-4:C[6]-4:H-1:H-1:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	108.5973	0.842	3	108.5973	0.709	3	108.5973	0.709	3	108.5973	0.709	3	117.9036	27.643	26	117.9036	27.643	26
466	849	893	0:SP3_SP2_SP3	C[6]	P[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O)	O(C[6]C[6]P[6]H)(CCO)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]P[6]H)(CCO)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1
466	849	893	0:SP3_SP3_SP3	C[6]	P[6]	O	3:4:3:2:	3:4:3:1:	4:1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[5a,6]-3:C[6]-4:C[6a]-3:O-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O)	O(C[6]C[5a,6]C[6a]P[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	O(C[6]C[5a,6]C[6a]P[6])(H)	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	106.8576	6.673	5	106.8576	6.673	5
466	849	893	0:SP3_SP3_SP3	C[6]	P[6]	O	4:4:2:1:	3:3:4:4:	4:1:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[6]P[6]H)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	O(C[6]C[6]P[6]H)(H)	103.6150	0.000	1	103.6150	0.000	1	103.6150	0.000	1	103.6150	0.000	1	106.8576	6.673	5	106.8576	6.673	5
466	849	893	0:SP3_SP3_SP3	C[6]	P[6]	O	4:4:2:1:	3:3:4:4:	4:4:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[6]P[6]H)(CCHH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6]P[6]H)(CCHH)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	106.8576	6.673	5	106.8576	6.673	5
466	849	893	0:SP3_SP3_SP3	C[6]	P[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	O(C[6]C[6]P[6]H)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]P[6]H)(H)	108.4290	0.079	2	108.4290	0.006	2	108.4290	0.006	2	108.4290	0.006	2	106.8576	6.673	5	106.8576	6.673	5
466	849	914	6:SP3_SP2_SP3	C[6,6]	P[6]	N[6,6]	2:3:4:4:	4:2:2:1:	4:4:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	C[6,6]-4:O[6]-2:O-2:O-1:	C[6,6]-4:C[6,6]-4:	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	N[6,6](C[6,6]C[6a]P[6]2)2	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	N[6,6](C[6,6]C[6a]P[6]2)2{4|C<3>,4|O<1>,6|O<2>}	108.2060	0.018	2	108.2060	0.000	2	108.2060	0.000	2	108.2060	0.000	2	108.2060	0.000	2	108.2060	0.000	2
466	849	930	0:SP3_SP2_SP3	C[6,6]	P[3x6]	C	4:3:3:1:	4:4:4:1:	4:2:1:	P[3x6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	113.1553	18.378	3
466	849	930	0:SP3_SP2_SP3	C[6]	P[6]	C	3:4:3:1:	4:2:4:4:	4:2:1:	N[5,6]-3:P[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2	C(C[6]N[5,6]P[6]H)(OC)(O)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2{1|B<4>,1|N<3>,2|O<2>}	C(C[6]N[5,6]P[6]H)(OC)(O)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	114.6265	23.771	2	113.1553	18.378	3
466	849	930	0:SP3_SP2_SP3	C[6]	P[6]	C	4:2:3:1:	3:3:4:4:	4:3:1:	P[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	118.0740	0.000	1	114.6265	23.771	2	113.1553	18.378	3
466	849	951	0:SP3_SP-NON_SP3	C[3x6]	P[6,6]	H	3:3:4:1:	4:3:4:4:	4:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2{1|C<3>,1|C<4>,2|N<3>}	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	108.3090	8.397	2	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[3x6]	P[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	H(C[3x6]C[6,6]2P[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{3|C<4>,4|H<1>}	H(C[3x6]C[6,6]2P[6,6])	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	108.3090	8.397	2	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.5563	0.057	3	109.4172	0.053	10	109.4244	2.634	18	109.4244	2.634	18	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3576	0.254	7	109.4172	0.053	10	109.4244	2.634	18	109.4244	2.634	18	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){1|Co<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.8975	0.074	4	109.4334	6.328	8	109.4244	2.634	18	109.4244	2.634	18	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9693	3.766	4	109.4334	6.328	8	109.4244	2.634	18	109.4244	2.634	18	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:2:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(NP)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(NP){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.9811	0.114	8	109.9811	0.013	8	109.9811	0.013	8	109.9811	0.013	8	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:3:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	P[3x6](C[6,6]N[3x6]HH)3(NPdC)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(NPdC){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.9107	0.084	6	109.9107	0.007	6	109.9107	0.007	6	109.9107	0.007	6	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:1:1:	4:4:4:4:	4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2	P[3x6](C[6,6]N[6,6]HH)3(BH3)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2{1|B<4>,2|N<3>,4|H<1>}	P[3x6](C[6,6]N[6,6]HH)3(BH3){1|P<4>,3|C<4>}	H(C[6,6]N[6,6]P[3x6]H)	109.2697	0.088	6	109.2697	0.008	6	109.2697	0.008	6	109.2697	0.008	6	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:3:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:4:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.5860	0.000	1	106.5860	0.000	1	106.5150	0.010	2	106.5150	0.010	2	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:3:4:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.4440	0.000	1	106.4440	0.000	1	106.5150	0.010	2	106.5150	0.010	2	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.6525	0.356	2	109.6525	0.127	2	109.6924	0.025	10	109.6924	0.025	10	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(P[3x6]C[6,6]2O)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){1|Co<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.5165	0.012	2	109.5165	0.000	2	109.6924	0.025	10	109.6924	0.025	10	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(P[3x6]C[6,6]2O)(H)2	P[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(P[3x6]C[6,6]2O)(H)2{2|N<4>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(O){3|Cu<5>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.7643	0.028	6	109.7643	0.001	6	109.6924	0.025	10	109.6924	0.025	10	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:4:1:1:	4:4:4:2:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pd)(P[3x6]C[6,6]2N)(H)2	P[3x6](C[6,6]N[3x6]HH)3(NP)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Pd)(P[3x6]C[6,6]2N)(H)2{2|N<3>,8|H<1>}	P[3x6](C[6,6]N[3x6]HH)3(NP){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2970	0.040	4	109.2970	0.002	4	109.2970	0.002	4	109.2970	0.002	4	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	P[3x6](C[6,6]C[6,6]HH)3(BH3)	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	P[3x6](C[6,6]C[6,6]HH)3(BH3){1|Si<4>,6|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	108.3342	0.711	6	108.3342	0.505	6	108.3342	0.505	6	108.3342	0.505	6	109.3149	1.408	61	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:1:1:	4:4:3:3:	4:	P[6,6]-4:P[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2	H(C[6,6]P[6,6]2H)	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2{2|C<4>,2|H<1>,8|C<3>}	P[6,6](C[4,6,6]C[4,6]2H)(C[6,6]P[6,6]HH)(C[6a]C[6a]2)2{1|C<4>,2|O<2>,2|P<4>,4|H<1>,6|C<3>}	H(C[6,6]P[6,6]2H)	107.8087	0.045	3	107.8087	0.002	3	107.8087	0.002	3	107.8087	0.002	3	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:S-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S)	H(C[6,6]C[6,6]P[6,6]H)	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2{2|C<4>,8|H<1>}	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[6,6]H)	108.0795	1.780	2	108.0795	3.168	2	108.0795	3.168	2	108.0795	3.168	2	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:P[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2{3|H<1>,4|C<4>}	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]P[6,6]H)	110.0350	0.017	2	110.0350	0.000	2	110.0350	0.000	2	110.0350	0.000	2	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:1:1:	6:4:4:4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	Nb[3x6]-6:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	P[6,6](Nb[3x6]P[6,6]2GeCC)(C[6,6]Si[3x6]HH)(CH3)2	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Ge<2>,2|C<2>,2|P<4>,4|H<1>}	P[6,6](Nb[3x6]P[6,6]2GeCC)(C[6,6]Si[3x6]HH)(CH3)2{7|C<4>}	H(C[6,6]Si[3x6]P[6,6]H)	108.3757	0.064	3	108.3757	0.004	3	108.4266	0.019	8	108.4266	0.019	8	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:1:1:	6:4:4:4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	Nb[3x6]-6:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	P[6,6](Nb[3x6]P[6,6]2SnCC)(C[6,6]Si[3x6]HH)(CH3)2	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Sn<2>,2|C<2>,2|P<4>,4|H<1>}	P[6,6](Nb[3x6]P[6,6]2SnCC)(C[6,6]Si[3x6]HH)(CH3)2{7|C<4>}	H(C[6,6]Si[3x6]P[6,6]H)	108.4572	0.167	5	108.4572	0.028	5	108.4266	0.019	8	108.4266	0.019	8	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:4:1:	4:4:3:3:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:P-3:N-3:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H)	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH)	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH){2|C<4>,8|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.5765	0.132	2	108.5765	0.017	2	108.5765	0.017	2	108.5765	0.017	2	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:4:1:	4:4:4:1:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:Se-1:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H)	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se)	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se){2|C<4>,8|H<1>}	H(C[6,6]P[6,6]C[6]2)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6,6]	H	4:4:4:1:	4:4:4:4:	4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	P[6,6](C[6,6]C[6]2H)2(CHHO)2	H(C[6,6]P[6,6]C[6]2)	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	P[6,6](C[6,6]C[6]2H)2(CHHO)2{2|C<4>,8|H<1>}	H(C[6,6]P[6,6]C[6]2)	108.6165	0.422	2	108.6165	0.178	2	108.6165	0.178	2	108.6165	0.178	2	108.4718	0.544	20	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6]	H	3:4:3:1:	4:3:3:3:	4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	H(C[6,6]C[6,6a]N[6,6]P[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	H(C[6,6]C[6,6a]N[6,6]P[6])	107.1910	0.378	2	107.1910	0.143	2	107.1910	0.143	2	107.1910	0.143	2	107.9933	0.909	4	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6]	H	4:3:4:1:	4:3:3:4:	4:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|C<4>,6|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]P[6])	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	107.9933	0.909	4	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6,6]	P[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]P[6])	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	107.9933	0.909	4	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:3:1:1:	3:4:4:1:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	P[6,6]-3:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	P[6,6](P[6,6]C[6]2)(C[6]C[6]HH)2(O)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	P[6,6](P[6,6]C[6]2)(C[6]C[6]HH)2(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.5470	0.333	4	109.5470	0.111	4	109.5470	0.111	4	109.5470	0.111	4	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:3:1:1:	4:4:4:1:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	P[6,6](P[6,6]C[6]2O)(C[6]C[6]HH)2(O)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	P[6,6](P[6,6]C[6]2O)(C[6]C[6]HH)2(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	110.1250	0.075	4	110.1250	0.006	4	110.1250	0.006	4	109.8133	0.086	12	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:3:1:1:	4:4:4:1:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:S-1:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2	P[6,6](P[6,6]C[6]2S)(C[6]C[6]HH)2(S)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	P[6,6](P[6,6]C[6]2S)(C[6]C[6]HH)2(S){2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.6575	0.221	8	109.6575	0.049	8	109.6575	0.049	8	109.8133	0.086	12	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:3:1:1:	4:4:4:2:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC){2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.6133	0.242	4	109.6133	0.058	4	109.4221	0.103	16	109.4221	0.103	16	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:3:1:1:	4:4:4:2:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC[6a])	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	P[6,6](P[6,6]C[6]2N)(C[6]C[6]HH)2(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.3584	0.328	12	109.3584	0.107	12	109.4221	0.103	16	109.4221	0.103	16	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:4:1:1:	3:3:4:4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]P[6,6]C[6]H)	108.7410	0.162	4	108.7410	0.026	4	109.1013	0.319	7	109.0917	0.317	9	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:4:1:1:	3:3:4:4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.5817	0.558	3	109.5817	0.312	3	109.1013	0.319	7	109.0917	0.317	9	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:4:1:1:	3:3:4:4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:S[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	109.0580	0.789	2	109.0580	0.623	2	109.0580	0.623	2	109.0917	0.317	9	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6,6]	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:S-1:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S){1|O<2>,2|C<4>,4|H<1>}	H(C[6]P[6,6]C[6]H)	104.4035	1.612	4	104.4035	2.597	4	104.4035	2.597	4	104.4035	2.597	4	109.0254	2.493	45	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	3:4:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:B-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2{1|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	H(C[6]C[6,6a]P[6]H)	109.6693	0.038	4	109.6693	0.001	4	109.6693	0.001	4	109.6693	0.001	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[3,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{4|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6,6a]P[6]H)	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	108.7901	0.053	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,3|C<3>,4|C<4>,4|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6a]P[6]H)	108.9705	0.005	2	108.9705	0.000	2	108.8247	0.064	3	108.7901	0.053	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,1|P<3>,3|C<3>,3|H<1>,4|C<4>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	H(C[6]C[6,6a]P[6]H)	108.5330	0.000	1	108.5330	0.000	1	108.8247	0.064	3	108.7901	0.053	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<3>,2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6a]P[6]H)	108.5615	0.006	2	108.6650	0.032	3	108.6650	0.032	3	108.7901	0.053	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6a]P[6]H)	108.8720	0.000	1	108.6650	0.032	3	108.6650	0.032	3	108.7901	0.053	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	P[6](C[6]C[6a]O[6]H)2(OH)(O)	H(C[6]C[6a]O[6]P[6])	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	P[6](C[6]C[6a]O[6]H)2(OH)(O){1|C<4>,4|C<3>}	H(C[6]C[6a]O[6]P[6])	108.0545	0.730	2	108.0545	0.534	2	108.0545	0.534	2	108.0545	0.534	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:3:1:	3:4:3:1:	4:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:S-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S)	H(C[6]C[5a,6]C[6a]P[6])	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S){1|S<2>,2|H<1>,7|C<3>}	H(C[6]C[5a,6]C[6a]P[6])	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:H-1:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O)	H(C[6]C[6a]N[6]P[6])	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]P[6])	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:3:1:	4:2:4:4:	4:	N[5,6]-3:P[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2	H(C[6]N[5,6]P[6]C)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2{1|B<4>,1|N<3>,2|O<2>}	H(C[6]N[5,6]P[6]C)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:S-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S)	H(C[6]C[6,6a]C[6a]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S){2|C<4>,7|C<3>}	H(C[6]C[6,6a]C[6a]P[6])	107.2620	0.530	2	107.2620	0.281	2	107.2620	0.281	2	107.2620	0.281	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:4:1:	3:4:3:1:	4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	H(C[6]C[6,6a]P[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	H(C[6]C[6,6a]P[6]C)	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O)	H(C[6]C[6a]C[6]P[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O){2|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6a]C[6]P[6])	106.3140	1.311	2	106.3140	1.719	2	106.3140	1.719	2	106.3140	1.719	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:1:1:	3:3:3:4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2{2|O<2>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]HH){1|B<4>,5|H<1>,6|C<3>}	H(C[6]O[6]P[6]H)	109.8695	0.042	2	109.8695	0.002	2	109.8695	0.002	2	109.8695	0.002	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:1:1:	3:4:2:1:	4:	P[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O)	H(C[6]P[6]S[6]H)	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2{1|P<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]P[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]P[6]S[6]H)	109.2223	0.723	4	109.2223	0.523	4	109.2223	0.523	4	109.2223	0.523	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:1:1:	4:2:2:1:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6]-4:	C[6](P[6]O[6]OO)(O[6]C[6])(H)2	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O)	H(C[6]O[6]P[6]H)	C[6](P[6]O[6]OO)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O){1|C<4>,2|H<1>}	H(C[6]O[6]P[6]H)	109.5842	0.208	8	109.5842	0.043	8	109.5842	0.043	8	109.5842	0.043	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:1:1:	4:4:2:1:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](P[6]C[6]OO)(O[6]C[6])(H)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]OO)(O[6]C[6])(H)2{1|P<4>,4|H<1>}	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	H(C[6]O[6]P[6]H)	109.2380	0.311	7	109.2380	0.096	7	109.2380	0.096	7	109.2380	0.096	7	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:1:1:	4:4:4:1:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:S-1:	C[6]-4:	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2	P[6](C[6]O[6]HH)2(CC[5]HH)(S)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6](C[6]O[6]HH)2(CC[5]HH)(S){1|P<4>}	H(C[6]O[6]P[6]H)	109.3645	0.248	4	109.3645	0.061	4	109.3645	0.061	4	109.3645	0.061	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:3:1:	3:3:4:4:	4:	P[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]P[6]C)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	H(C[6]O[6]P[6]C)	103.8380	0.000	1	103.8380	0.000	1	103.8380	0.000	1	103.8380	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:2:4:1:	3:4:4:1:	4:	P[6]-4:O[6]-2:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	H(C[6]O[6]P[6]B)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]O[6]P[6]B)	107.1055	0.163	2	107.1055	0.027	2	107.1055	0.027	2	107.1055	0.027	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	3:4:4:1:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6]P[6]H)	109.6480	0.055	2	109.6480	0.003	2	109.6480	0.003	2	109.6480	0.003	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,6|H<1>,9|C<3>}	H(C[6]C[6]P[6]H)	109.9560	0.008	2	108.7525	1.931	4	108.7525	1.931	4	109.6679	1.887	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<4>,9|C<3>}	H(C[6]C[6]P[6]H)	107.5490	0.018	2	108.7525	1.931	4	108.7525	1.931	4	109.6679	1.887	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|C<4>,6|C<3>,6|H<1>}	H(C[6]C[6]P[6]H)	111.0040	0.054	2	111.0040	0.003	2	111.0040	0.003	2	109.6679	1.887	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:3:4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH)	H(C[6]N[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	P[6](C[5,6]C[5,6]C[5]Fe)(C[6a]C[6a]2)2(C[6]N[6]HH){4|C<3>,4|C<4>,5|H<1>}	H(C[6]N[6]P[6]H)	110.1625	0.011	2	110.1625	0.000	2	110.1625	0.000	2	109.6679	1.887	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:4:1:	4:	P[6]-4:P[6]-3:H-1:H-1:	C[6]-4:P[6]-3:C-4:S-1:	C[6]-4:	C[6](P[6]P[6]CS)(P[6]P[6]C)(H)2	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(S)	H(C[6]P[6]2H)	C[6](P[6]P[6]CS)(P[6]P[6]C)(H)2{1|S<1>,3|C<4>}	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(S){1|C<4>,1|P<4>,2|H<1>}	H(C[6]P[6]2H)	104.7930	1.777	4	104.7930	3.156	4	104.7930	3.156	4	106.0357	4.485	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:3:4:1:	4:	P[6]-4:P[6]-3:H-1:H-1:	C[6]-4:P[6]-3:C-4:Se-1:	C[6]-4:	C[6](P[6]P[6]SeC)(P[6]P[6]C)(H)2	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(Se)	H(C[6]P[6]2H)	C[6](P[6]P[6]SeC)(P[6]P[6]C)(H)2{1|Se<1>,3|C<4>}	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(Se){1|C<4>,1|P<4>,2|H<1>}	H(C[6]P[6]2H)	107.2785	1.786	4	107.2785	3.191	4	107.2785	3.191	4	106.0357	4.485	8	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:4:4:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	B[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2	H(C[6]C[6]P[6]H)	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]P[6]H)	108.4320	0.007	2	108.4320	0.000	2	108.4320	0.000	2	108.4605	0.001	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:1:1:	4:4:4:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2	H(C[6]C[6]P[6]H)	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]P[6]H)	108.4890	0.017	2	108.4890	0.000	2	108.4890	0.000	2	108.4605	0.001	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:2:1:	4:3:2:1:	4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	H(C[6]C[6a]Se[6]P[6])	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]Se[6]P[6])	108.3360	0.000	1	107.8470	0.289	3	107.8470	0.289	3	107.8470	0.289	3	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:2:1:	4:3:2:1:	4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	H(C[6]C[6a]Se[6]P[6])	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]Se[6]P[6])	107.6025	0.467	2	107.8470	0.289	3	107.8470	0.289	3	107.8470	0.289	3	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:2:1:	4:3:3:4:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	H(C[6]C[6a]O[6]P[6])	110.3080	0.000	1	110.3080	0.000	1	107.3685	17.281	2	107.3685	17.281	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:2:1:	4:3:3:4:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6a]O[6]P[6])	104.4290	0.000	1	104.4290	0.000	1	107.3685	17.281	2	107.3685	17.281	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:2:1:	4:4:3:3:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	H(C[6]C[6a]O[6]P[6])	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:3:1:	4:3:2:1:	4:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O)	H(C[6]C[6a]N[6]P[6])	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]N[6]P[6])	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:4:1:	3:4:2:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[6]P[6]C)	106.4930	0.000	1	106.4930	0.000	1	106.5998	4.623	4	106.5998	4.623	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:4:1:	3:4:2:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[6]P[6]C)	106.6353	2.632	3	106.6353	6.927	3	106.5998	4.623	4	106.5998	4.623	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:3:4:1:	4:2:2:1:	4:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O)	H(C[6]C[6a]C[6]P[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]P[6])	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	N[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2{1|Ge<4>}	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2{1|P<3>,2|C<4>,2|O<2>}	H(C[6]C[6]P[6]H)	109.8295	0.637	2	109.8295	0.406	2	109.8295	0.406	2	108.6435	0.417	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,5|O<2>}	H(C[6]C[6]P[6]H)	108.3830	0.217	6	108.3830	0.047	6	108.3800	0.041	9	108.6435	0.417	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	2:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,4|O<2>}	H(C[6]C[6]P[6]H)	108.3740	0.211	3	108.3740	0.044	3	108.3800	0.041	9	108.6435	0.417	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<3>,6|C<4>}	H(C[6]C[6]P[6]H)	109.1385	0.011	2	109.1385	0.000	2	109.1385	0.000	2	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,1|O<2>,6|C<3>,6|H<1>}	H(C[6]C[6]P[6]H)	110.3275	0.022	2	110.4445	0.019	4	108.5787	4.484	8	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	H(C[6]C[6]P[6]H)	110.5615	0.019	2	110.4445	0.019	4	108.5787	4.484	8	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,6|C<3>,7|H<1>}	H(C[6]C[6]P[6]H)	106.7130	1.077	4	106.7130	1.161	4	108.5787	4.484	8	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|P<3>,2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	110.4095	0.005	2	110.4095	0.000	2	110.4210	0.000	4	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<3>,6|C<4>}	H(C[6]C[6]P[6]H)	110.4325	0.005	2	110.4325	0.000	2	110.4210	0.000	4	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	108.3545	0.084	2	108.3545	0.007	2	108.3545	0.007	2	109.0812	2.777	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|B<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]P[6]H)	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:2:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6])	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|B<4>,5|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6]){2|H<1>,4|C<4>,7|C<3>}	H(C[6]C[6]P[6]H)	110.3435	0.042	2	110.3435	0.002	2	110.3435	0.002	2	109.0939	0.345	29	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:2:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-2:	C[6]-4:	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6])	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2{1|P<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6]){1|C<4>,6|C<3>,6|H<1>}	H(C[6]C[6]P[6]H)	108.7349	0.242	19	108.7349	0.059	19	108.7349	0.059	19	109.0939	0.345	29	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:2:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](P[6]C[6a]2O[6])2(H)2	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6])	H(C[6]P[6]2H)	C[6](P[6]C[6a]2O[6])2(H)2{1|B<4>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]B[6]){1|O<2>,2|F<1>,4|H<1>,6|C<3>}	H(C[6]P[6]2H)	109.9290	0.062	4	109.9290	0.004	4	109.6340	0.101	8	109.0939	0.345	29	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:2:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](P[6]C[6a]2O[6])2(H)2	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6])	H(C[6]P[6]2H)	C[6](P[6]C[6a]2O[6])2(H)2{1|Nb<6>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]P[6]HH)(O[6]Nb[6]){1|O<1>,1|O<2>,3|F<1>,4|H<1>,6|C<3>}	H(C[6]P[6]2H)	109.3390	0.028	4	109.3390	0.001	4	109.6340	0.101	8	109.0939	0.345	29	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Cr){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.8780	0.082	3	107.8780	0.007	3	107.6013	0.171	15	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Fe){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.5775	0.404	4	107.5775	0.163	4	107.6013	0.171	15	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]Mo){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.1080	0.309	4	107.1080	0.095	4	107.6013	0.171	15	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(P[6]P[6]W){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.9108	0.066	4	107.9108	0.004	4	107.6013	0.171	15	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:Ge[6]-3:	C[6]-4:	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]HH)(Ge[6]P[6]C){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.7837	0.679	4	107.7837	0.462	4	107.7837	0.462	4	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:3:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|P<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga){1|C<4>,6|C<3>,6|H<1>}	H(C[6]C[6]P[6]H)	108.8438	0.103	4	108.8438	0.011	4	108.8438	0.011	4	107.8491	0.396	23	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH){1|P<4>,4|C<3>,8|H<1>}	H(C[6]B[6]P[6]H)	109.1935	0.029	2	109.1935	0.001	2	109.1935	0.001	2	108.3437	2.959	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]P[6]H)	107.0816	1.544	8	107.0816	2.383	8	107.0816	2.383	8	108.3437	2.959	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]P[6]H)	110.1150	0.081	2	110.1150	0.006	2	109.7432	0.353	6	108.3437	2.959	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6]P[6]H)	110.1360	0.040	2	110.1360	0.002	2	109.7432	0.353	6	108.3437	2.959	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	H(C[6]C[6]P[6]H)	108.9785	0.043	2	108.9785	0.002	2	109.7432	0.353	6	108.3437	2.959	16	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:2:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]P[6]H)	109.1320	0.017	2	109.1320	0.000	2	109.1320	0.000	2	109.1320	0.000	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|B<4>,1|H<1>,1|O<2>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	108.5757	0.251	3	108.5757	0.063	3	109.3722	0.385	11	109.2006	0.497	13	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]P[6]H)	109.4615	0.312	4	109.6709	0.159	8	109.3722	0.385	11	109.2006	0.497	13	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,4|C<3>,4|H<1>}	H(C[6]C[6]P[6]H)	109.8803	0.395	4	109.6709	0.159	8	109.3722	0.385	11	109.2006	0.497	13	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6]P[6]H)	108.2570	0.035	2	108.2570	0.001	2	108.2570	0.001	2	109.2006	0.497	13	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	B[6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	P[6](B[6]C[6a]B[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	P[6](B[6]C[6a]B[6])(C[6]C[6]HH)(CH3)2{1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	109.1457	0.116	3	109.1457	0.014	3	109.1457	0.014	3	108.9537	0.090	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]P[6]H)	108.5853	0.038	4	108.5853	0.001	4	108.8817	0.103	8	108.9537	0.090	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	3:4:4:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3){1|P<4>,2|C<3>,6|H<1>}	H(C[6]C[6]P[6]H)	109.1782	0.068	4	109.1782	0.005	4	108.8817	0.103	8	108.9537	0.090	11	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	P[6](C[6]C[6]FH)(O[6]C[6])(O)2	H(C[6]C[6]P[6]F)	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	P[6](C[6]C[6]FH)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	H(C[6]C[6]P[6]F)	109.1000	0.000	2	109.1000	0.000	2	109.1000	0.000	2	111.6842	10.631	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:P[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6]-4:	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	P[6](C[6]N[6]HH)(O[6]C[6])(O)2	H(C[6]N[6]P[6]H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	P[6](C[6]N[6]HH)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6]P[6]H)	114.2685	2.276	2	114.2685	5.181	2	114.2685	5.181	2	111.6842	10.631	4	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	H(C[6]B[6]P[6]H)	107.4180	0.187	6	107.4180	0.035	6	107.4180	0.035	6	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	P[6](P[6]P[6]Co2)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	106.6757	1.161	3	106.6757	1.348	3	106.6757	1.348	3	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	P[6]-4:B[6]-4:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.8158	0.073	4	107.8158	0.005	4	107.8158	0.005	4	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	H(C[6]C[6]P[6]H)	110.4070	0.011	2	110.4070	0.000	2	110.4070	0.000	2	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	H(C[6]C[6]P[6]H)	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:3:3:4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	109.5155	0.035	2	109.5155	0.001	2	109.5155	0.001	2	108.1154	1.893	18	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2{1|P<4>,4|H<1>}	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]P[6]H)	108.5130	0.170	4	108.5130	0.029	4	108.5130	0.029	4	108.4391	0.089	14	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:2:1:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](P[6]C[6]OO)2(H)2	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	H(C[6]P[6]2H)	C[6](P[6]C[6]OO)2(H)2{1|C<4>,4|H<1>}	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]P[6]2H)	108.2362	0.020	4	108.2362	0.000	4	108.4096	0.115	10	108.4391	0.089	14	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:2:1:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6](P[6]C[6]OO)2(H)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	H(C[6]P[6]2H)	C[6](P[6]C[6]OO)2(H)2{1|O<2>,4|H<1>}	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	H(C[6]P[6]2H)	108.5252	0.408	6	108.5252	0.167	6	108.4096	0.115	10	108.4391	0.089	14	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C[6]-4:	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	H(C[6]C[6]P[6]H)	108.9080	0.042	2	108.9080	0.002	2	108.9080	0.002	2	108.9080	0.002	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	H(C[6]B[6]P[6]H)	106.4059	0.858	7	106.4059	0.736	7	106.4059	0.736	7	107.5901	1.666	15	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	P[6](C[6]C[6]HH)2(CC[6a]HH)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	P[6](C[6]C[6]HH)2(CC[6a]HH)2{1|P<4>,4|H<1>}	H(C[6]C[6]P[6]H)	108.5738	0.369	4	108.5738	0.136	4	108.5738	0.136	4	107.5901	1.666	15	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2{12|H<1>,1|P<4>,4|C<4>}	H(C[6]C[6]P[6]H)	108.6790	0.160	4	108.6790	0.025	4	108.6790	0.025	4	107.5901	1.666	15	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:2:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]P[6]O)	104.5560	0.000	1	104.5560	0.000	1	106.9265	11.239	2	106.9265	11.239	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:2:1:	3:3:4:4:	4:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	H(C[6]C[6]P[6]O)	109.2970	0.000	1	109.2970	0.000	1	106.9265	11.239	2	106.9265	11.239	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:2:1:	4:2:4:1:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]O)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:2:1:	4:2:4:2:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]O)	109.1065	0.185	2	109.1065	0.034	2	109.1065	0.034	2	109.1065	0.034	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	3:2:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	C[6]-4:	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	H(C[6]C[6]2P[6])	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2P[6])	107.7823	0.239	3	107.7823	0.057	3	107.7823	0.057	3	107.7823	0.057	3	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	3:3:4:2:	4:	B[6]-4:P[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6])	H(C[6]B[6]P[6]C)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6]){1|N<3>,4|F<1>,6|C<3>}	H(C[6]B[6]P[6]C)	103.0520	0.000	1	103.0520	0.000	1	103.0520	0.000	1	103.0520	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	3:3:4:3:	4:	P[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]P[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C){1|B<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]C[6]P[6]C)	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	3:3:4:4:	4:	P[6]-4:B[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	H(C[6]B[6]P[6]P)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	H(C[6]B[6]P[6]P)	104.2990	1.201	3	104.2990	1.442	3	104.2990	1.442	3	104.2990	1.442	3	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	H(C[6]C[6]P[6]C)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	H(C[6]C[6]P[6]C)	108.3530	0.000	1	108.3530	0.000	1	108.2105	0.041	2	108.2105	0.041	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	H(C[6]C[6]P[6]C)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]C)	108.0680	0.000	1	108.0680	0.000	1	108.2105	0.041	2	108.2105	0.041	2	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:3:3:4:	4:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	H(C[6]C[6]P[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	H(C[6]C[6]P[6]C)	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H)	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O)	H(C[6]C[6]2P[6])	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H){2|C<3>,3|C<4>,6|H<1>}	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O){2|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6]2P[6])	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	105.2370	0.000	1	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H)	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2	H(C[6]C[6]2P[6])	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H){5|C<4>,9|H<1>}	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2{12|H<1>,1|P<4>,4|C<4>}	H(C[6]C[6]2P[6])	105.9400	0.863	2	105.9400	0.744	2	105.9400	0.744	2	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	B[3,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H)	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{4|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6]2P[6])	107.2120	0.085	2	107.2120	0.007	2	107.2120	0.007	2	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,3|C<4>,8|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6]2P[6])	105.7665	1.210	2	105.7665	1.464	2	105.8365	0.589	4	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|P<3>,2|C<3>,3|C<4>,7|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	H(C[6]C[6]2P[6])	105.9065	0.534	2	105.9065	0.285	2	105.8365	0.589	4	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<3>,3|C<4>,8|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6]2P[6])	106.5635	0.088	2	106.4940	0.023	4	106.4940	0.023	4	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6]2P[6])	106.4245	0.207	2	106.4940	0.023	4	106.4940	0.023	4	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	951	0:SP3_SP-NON_SP3	C[6]	P[6]	H	4:4:4:1:	4:4:4:4:	4:	P[6]-4:C[6]-4:C[6]-4:H-1:	In[6]-4:In[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H)	P[6](In[6]P[6]HH)2(C[6]C[6]2H)2	H(C[6]C[6]2P[6])	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H){2|P<4>,3|C<4>,9|H<1>}	P[6](In[6]P[6]HH)2(C[6]C[6]2H)2{1|In<4>,8|C<4>,8|H<1>}	H(C[6]C[6]2P[6])	107.5176	0.186	5	107.5176	0.035	5	107.5176	0.035	5	106.6596	0.680	17	108.3108	2.541	292	108.5357	2.409	424
466	849	975	6:SP3_SP3_SP3	C[6]	P[6]	Se[6]	4:3:2:1:	4:3:2:1:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	P[6]-4:C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	108.6910	0.000	1	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3
466	849	975	6:SP3_SP3_SP3	C[6]	P[6]	Se[6]	4:3:2:1:	4:3:2:1:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	P[6]-4:C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	111.1340	1.148	2	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3	110.3197	2.649	3
466	849	992	0:SP3_SP3_SP3	C[6]	P[6]	P	4:4:4:1:	3:3:4:4:	4:3:3:1:	P[6]-4:B[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	117.0177	2.803	3	117.0177	7.855	3	117.0177	7.855	3	117.0177	7.855	3	117.0177	7.855	3	117.0177	7.855	3
466	852	951	0:SP3_SP-NON_SP3	C[6]	P[3,6]	H	3:3:1:1:	3:3:4:	4:	P[3,6]-3:C[6]-3:H-1:H-1:	P[3,6]-3:P[3]-3:C[6]-4:	C[6]-4:	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	H(C[6]P[3,6]C[6]H)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]P[3,6]C[6]H)	108.2500	0.032	4	108.2500	0.001	4	108.2500	0.001	4	108.2500	0.001	4	108.2500	0.001	4	108.7190	0.531	6
466	852	951	0:SP3_SP-NON_SP3	C[6]	P[3]	H	3:4:4:1:	4:4:4:	4:	P[3]-3:C[6]-4:C[6]-4:H-1:	C[3,3]-4:C[3,3]-4:C[6]-4:	C[6]-4:	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H)	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H)	H(C[6]C[6]2P[3])	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H){3|C<4>,4|H<1>}	H(C[6]C[6]2P[3])	109.6570	0.105	2	109.6570	0.011	2	109.6570	0.011	2	109.6570	0.011	2	109.6570	0.011	2	108.7190	0.531	6
466	853	951	0:SP3_SP-NON_SP2	C[6]	C[3a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	H(C[6]C[3a]C[6]2)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	H(C[6]C[3a]C[6]2)	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1
466	854	854	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	108.4303	0.727	3	108.4303	0.529	3	109.5995	1.862	6	109.5995	1.862	6	109.6330	0.916	12	109.6330	0.916	12
466	854	854	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	110.7687	0.157	3	110.7687	0.025	3	109.5995	1.862	6	109.5995	1.862	6	109.6330	0.916	12	109.6330	0.916	12
466	854	854	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3)	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	109.8250	0.144	4	109.8250	0.021	4	109.6665	0.150	6	109.6665	0.150	6	109.6330	0.916	12	109.6330	0.916	12
466	854	854	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	109.3495	0.623	2	109.3495	0.388	2	109.6665	0.150	6	109.6665	0.150	6	109.6330	0.916	12	109.6330	0.916	12
466	854	855	6:SP3_SP3_SPD6	C[6]	N[6]	Si[6,6]	6:4:1:1:	4:2:4:4:	4:4:2:2:1:1:	Si[6,6]-6:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	118.0890	0.103	2	118.0890	0.011	2	118.0890	0.011	2	118.0890	0.011	2	118.0890	0.011	2	118.0890	0.011	2
466	854	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	4:3:1:1:	3:4:4:1:	3:4:4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	109.2775	0.757	4
466	854	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	109.2775	0.757	4
466	854	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:4:1:1:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	108.8985	0.780	2	109.2775	0.757	4
466	854	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	4:3:1:1:	3:4:4:4:	3:4:4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	108.8985	0.780	2	109.2775	0.757	4
466	854	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	108.7500	0.000	1	109.1140	0.178	5	109.0505	0.167	6	109.0505	0.167	6	109.1181	0.171	7	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	109.3600	0.360	3	109.1140	0.178	5	109.0505	0.167	6	109.0505	0.167	6	109.1181	0.171	7	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	108.7400	0.000	1	109.1140	0.178	5	109.0505	0.167	6	109.0505	0.167	6	109.1181	0.171	7	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	108.7330	0.000	1	108.7330	0.000	1	109.0505	0.167	6	109.0505	0.167	6	109.1181	0.171	7	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	109.1181	0.171	7	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[4x6]	N[4x6]	N[4x6]	4:3:4:4:	4:4:2:1:	4:4:2:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	108.3720	0.024	2	108.3720	0.001	2	108.3720	0.001	2	108.3720	0.001	2	108.3720	0.001	2	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:4:3:1:	4:4:4:1:	4:4:4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	109.6195	0.350	2	109.6195	0.123	2	109.6195	0.123	2	109.6195	0.123	2	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(D)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(D){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	109.8287	0.353	6	109.8287	0.125	6	109.8287	0.125	6	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	111.3870	0.417	2	112.1615	2.427	10	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	111.9585	0.634	2	112.1615	2.427	10	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	113.2260	2.057	4	112.1615	2.427	10	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	111.0100	0.317	2	112.1615	2.427	10	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	109.6822	0.400	73	109.7739	0.280	78	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	111.1124	0.341	5	109.7739	0.280	78	110.0452	1.080	88	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(O)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(O){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	109.6746	0.239	20	109.6746	0.057	20	109.6746	0.057	20	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	109.9962	0.946	115	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	111.5458	0.346	5	111.5458	0.120	5	111.5458	0.120	5	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	112.5490	0.346	2	112.2761	0.138	10	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	112.3030	0.226	4	112.2761	0.138	10	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	112.3225	0.562	2	112.2761	0.138	10	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	111.9030	0.467	2	112.2761	0.138	10	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	113.0900	2.257	2	113.0900	5.094	2	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	111.7728	0.859	4	111.8849	0.405	18	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	110.9700	0.204	2	111.8849	0.405	18	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	112.0748	0.474	12	111.8849	0.405	18	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CCHH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	110.4267	0.563	3	110.4267	0.317	3	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	110.6373	0.987	9	110.6373	0.974	9	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	110.2010	0.311	2	110.2010	0.097	2	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	109.5710	0.000	1	109.5710	0.000	1	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHO)	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	110.0540	0.436	3	110.0540	0.190	3	111.4588	1.262	48	111.4670	1.150	53	110.4503	1.466	170	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	4:3:1:1:	3:4:4:1:	3:4:4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	109.5310	0.219	2	109.5310	0.048	2	109.5310	0.048	2	109.5310	0.048	2	109.1812	0.233	6	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	108.6765	0.141	2	108.6765	0.020	2	108.6765	0.020	2	108.6765	0.020	2	109.1812	0.233	6	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	109.3360	0.542	2	109.3360	0.293	2	109.3360	0.293	2	109.3360	0.293	2	109.1812	0.233	6	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	112.9952	1.914	4	112.9952	3.662	4	112.9952	3.662	4	112.9952	3.662	4	113.0196	2.490	9	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	113.0915	1.091	2	113.0915	1.190	2	113.0915	1.190	2	113.0390	2.233	5	113.0196	2.490	9	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	113.6170	2.341	2	113.6170	5.478	2	113.6170	5.478	2	113.0390	2.233	5	113.0196	2.490	9	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	113.0390	2.233	5	113.0196	2.490	9	110.4792	1.922	197
466	854	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)(H)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	110.5665	2.269	2	110.5665	5.149	2	110.5665	5.149	2	110.5665	5.149	2	110.5665	5.149	2	110.4792	1.922	197
466	854	874	6:SP3_SP3_SP3	C[6]	N[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	B[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	115.5650	12.869	3	115.5650	12.869	3
466	854	874	6:SP3_SP3_SP3	C[6]	N[6]	B[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	N[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-4:Si-4:Si-4:	N[6]-4:C[6]-4:H-1:H-1:	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	117.6330	0.281	2	117.6330	0.079	2	117.6330	0.079	2	117.6330	0.079	2	115.5650	12.869	3	115.5650	12.869	3
466	854	880	0:SP3_SP3_SP3	C[6,6]	N[6,6]	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:C-4:C-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	Si(C[6,6]N[6,6]C[6]2)(CH3)3	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	Si(C[6,6]N[6,6]C[6]2)(CH3)3	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1
466	854	893	0:SP3_SP3_SP3	C[6,6]	N[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	O(C[6,6]C[3x6]N[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	O(C[6,6]C[3x6]N[3x6]O)(H)	106.7700	0.095	2	106.7700	0.009	2	106.7700	0.009	2	106.7700	0.009	2	106.7700	0.009	2	108.0880	6.864	4
466	854	893	0:SP3_SP3_SP3	C[6,6]	N[6,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	108.0880	6.864	4
466	854	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:4:2:1:	5:4:4:1:	4:4:	C[6,6a]-3:N[6]-4:O-2:H-1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	108.0880	6.864	4
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:3:1:	3:4:4:4:	4:2:2:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-2:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	C(C[6]C[6,6a]N[6]H)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CN)2	113.0030	0.535	2	113.0030	0.286	2	113.0030	0.286	2	113.0030	0.286	2	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(O)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(O)2	111.2520	0.000	1	111.2520	0.000	1	110.2475	1.721	4	110.2475	1.721	4	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(O)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(O)2	109.9935	1.944	2	109.9935	3.779	2	110.2475	1.721	4	110.2475	1.721	4	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]N[6]H)(O)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	C(C[6]C[6]N[6]H)(O)2	109.7510	0.000	1	109.7510	0.000	1	110.2475	1.721	4	110.2475	1.721	4	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	108.9830	0.000	2	108.9830	0.000	2	108.1440	4.014	7	108.1440	4.014	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	111.0960	0.000	1	111.0960	0.000	1	108.1440	4.014	7	108.1440	4.014	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	106.5100	0.851	2	106.5100	0.725	2	108.1440	4.014	7	108.1440	4.014	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	109.3300	0.000	1	109.3300	0.000	1	108.1440	4.014	7	108.1440	4.014	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(OC)(O)	105.5960	0.000	1	105.5960	0.000	1	108.1440	4.014	7	108.1440	4.014	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	N[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CC[6]H)(H)	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	110.6960	0.000	1	110.6960	0.000	1	111.6605	1.861	2	111.6605	1.861	2	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:2:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	112.6250	0.000	1	112.6250	0.000	1	111.6605	1.861	2	111.6605	1.861	2	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	111.1590	0.714	2	111.1590	0.510	2	111.1590	0.510	2	110.0113	2.332	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	109.7390	0.334	2	109.7390	0.111	2	109.5522	2.448	5	110.0113	2.332	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	109.3760	0.000	1	109.3760	0.000	1	109.5522	2.448	5	110.0113	2.332	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	109.4535	3.092	2	109.4535	9.562	2	109.5522	2.448	5	110.0113	2.332	7	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:2:	4:3:2:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C(C[6]C[6]N[6]H)(NC[5]H)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[5]H)(OMg)	112.6500	0.345	2	112.6500	0.119	2	111.9790	0.670	4	111.9790	0.670	4	110.2134	4.228	27	110.2134	4.228	27
466	854	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:4:3:1:	4:4:4:2:	4:3:2:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	111.3080	0.301	2	111.3080	0.091	2	111.9790	0.670	4	111.9790	0.670	4	110.2134	4.228	27	110.2134	4.228	27
466	854	934	6:SP3_SP3_SPD5	C[6]	N[6]	Si[6,6]	5:4:1:1:	4:2:4:4:	4:4:2:2:1:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	117.4030	1.861	2	117.4030	3.464	2	117.4030	3.464	2	117.4030	3.464	2	118.1007	1.777	6	118.1007	1.777	6
466	854	934	6:SP3_SP3_SPD5	C[6]	N[6]	Si[6,6]	5:4:1:1:	4:2:4:4:	4:4:2:2:2:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	118.4495	1.149	4	118.4495	1.320	4	118.4495	1.320	4	118.4495	1.320	4	118.1007	1.777	6	118.1007	1.777	6
466	854	943	6:SP3_SP-NON_SP3	C[6,6]	N[6,6]	Ga[6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:C-4:C-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	4:4:4:1:	4:4:4:4:	4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	109.6265	3.249	2	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	109.6265	3.249	2	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.3975	0.035	2	110.3975	0.001	2	110.3975	0.001	2	110.3975	0.001	2	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	108.7420	0.000	1	109.1140	0.063	5	109.1710	0.070	6	109.1710	0.070	6	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.2470	0.170	3	109.1140	0.063	5	109.1710	0.070	6	109.1710	0.070	6	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.0870	0.000	1	109.1140	0.063	5	109.1710	0.070	6	109.1710	0.070	6	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.4560	0.000	1	109.4560	0.000	1	109.1710	0.070	6	109.1710	0.070	6	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	108.4716	2.581	5	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	108.4716	2.581	5	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.7380	0.795	2	107.7380	0.632	2	107.7380	0.632	2	108.4716	2.581	5	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.4716	2.581	5	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	106.0760	0.000	1	109.1272	2.219	17	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	107.1400	0.047	2	107.1400	0.002	2	107.1400	0.002	2	107.1400	0.002	2	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0620	0.006	2	110.0620	0.000	2	109.4910	2.316	6	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.2635	0.192	2	110.2635	0.037	2	109.4910	2.316	6	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.1475	2.467	2	108.1475	6.087	2	109.4910	2.316	6	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(D)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(D){3|C<4>}	H(C[6,6]N[3x6]2H)	109.7010	0.075	9	109.7010	0.006	9	109.7010	0.006	9	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3073	0.121	3	109.1623	0.502	19	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1287	1.468	4	109.1623	0.502	19	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.0092	0.541	8	109.1623	0.502	19	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3932	0.094	4	109.1623	0.502	19	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){3|C<4>}	H(C[6,6]N[3x6]2H)	109.4997	0.994	123	109.4920	0.901	135	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.4126	0.077	12	109.4920	0.901	135	109.4513	0.860	154	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(O)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(O){3|C<4>}	H(C[6,6]N[3x6]2H)	109.7405	0.054	39	109.7405	0.003	39	109.7405	0.003	39	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9520	0.014	2	108.9520	0.000	2	108.9520	0.000	2	109.5121	0.703	210	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	101.2614	2.744	4	101.2614	7.529	4	101.2614	7.529	4	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	H(C[6,6]N[3x6]2H)	109.3106	0.061	11	109.3106	0.004	11	109.3106	0.004	11	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	H(C[6,6]N[3x6]2H)	109.0607	0.075	3	109.1353	0.010	19	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1260	0.070	8	109.1353	0.010	19	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1325	0.092	4	109.1353	0.010	19	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2125	0.150	4	109.1353	0.010	19	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9680	0.444	4	108.3819	4.865	38	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2266	0.186	8	108.3819	4.865	38	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	105.3241	4.152	4	108.3819	4.865	38	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5240	1.982	22	108.3819	4.865	38	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CCHH){3|C<4>}	H(C[6,6]N[3x6]2H)	109.5370	0.114	5	109.5370	0.013	5	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	H(C[6,6]N[3x6]2H)	109.5182	0.205	16	109.5182	0.042	16	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.6160	0.053	4	109.6160	0.003	4	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.7590	0.011	2	109.7590	0.000	2	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHO)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	H(C[6,6]N[3x6]2H)	109.6316	0.092	5	109.6316	0.008	5	108.9685	2.342	89	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:4:	4:	N[3x6]-4:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.7365	0.006	2	108.7365	0.000	2	108.7365	0.000	2	108.7088	4.386	106	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:3:3:1:	4:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:3:3:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	103.8730	2.116	2	103.8730	4.476	2	103.8730	4.476	2	103.8730	4.476	2	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:2:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.6932	0.123	5	108.6932	0.015	5	108.7610	0.017	11	108.7610	0.017	11	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:2:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.8175	0.118	6	108.8175	0.014	6	108.7610	0.017	11	108.7610	0.017	11	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6453	2.190	4	107.9350	7.825	8	107.9350	7.825	8	107.9350	7.825	8	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	106.2248	2.380	4	107.9350	7.825	8	107.9350	7.825	8	107.9350	7.825	8	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.5353	0.242	3	109.5353	0.059	3	109.5353	0.059	3	109.5353	0.059	3	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.8020	0.028	4	109.8020	0.001	4	109.9502	0.021	37	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	110.0130	0.145	23	110.0130	0.021	23	109.9502	0.021	37	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.9340	0.034	2	109.9340	0.001	2	109.9502	0.021	37	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)3(H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|N<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.8476	0.053	8	109.8476	0.003	8	109.9502	0.021	37	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1502	0.069	5	109.9906	0.038	27	109.9906	0.038	27	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9543	0.197	22	109.9906	0.038	27	109.9906	0.038	27	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(F)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(F){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1123	0.078	3	110.1123	0.006	3	110.1123	0.006	3	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.9316	1.760	81	108.9316	3.098	81	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9100	0.024	2	109.9100	0.001	2	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.8364	2.609	77	108.8364	6.809	77	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8940	0.106	8	109.8940	0.011	8	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0295	0.266	4	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7143	0.090	6	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7523	0.234	15	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8825	0.111	4	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6400	0.226	22	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7717	0.289	167	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8474	0.125	59	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9840	0.028	4	109.7833	0.065	281	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5918	0.206	11	109.5918	0.042	11	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6363	0.150	82	109.6363	0.022	82	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5860	0.016	2	109.5860	0.000	2	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0885	0.078	4	110.0885	0.006	4	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0290	0.031	2	110.0290	0.001	2	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1073	0.137	4	110.1073	0.019	4	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	106.8402	2.324	4	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1198	0.212	6	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1458	0.074	5	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9970	0.238	9	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1145	0.073	6	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9108	0.045	5	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0898	0.108	9	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7156	1.207	358	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9185	0.684	1422	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9792	0.033	4	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9542	0.192	96	109.8792	0.653	1924	109.7963	0.884	2478	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	110.2371	0.086	8	110.2371	0.007	8	110.2371	0.007	8	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.7549	0.066	10	109.7549	0.004	10	109.7575	0.046	28	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	H(C[6,6]N[3x6]2H)	109.9730	0.129	10	109.9730	0.017	10	109.7575	0.046	28	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]N[3x6]HH)3(H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.4914	0.041	8	109.4914	0.002	8	109.7575	0.046	28	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.6575	0.013	2	109.6575	0.000	2	109.5257	2.943	10	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.8455	5.055	2	109.8455	25.554	2	109.5257	2.943	10	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.4582	0.399	4	109.4582	0.159	4	109.5257	2.943	10	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:1:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2090	0.018	2	109.2090	0.000	2	109.5257	2.943	10	109.8005	0.858	2592	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9158	0.100	10	109.9781	0.016	15	109.9781	0.016	15	109.9781	0.016	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1026	0.058	5	109.9781	0.016	15	109.9781	0.016	15	109.9781	0.016	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.4570	0.006	2	109.5315	0.007	4	109.7051	0.041	8	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.6060	0.010	2	109.5315	0.007	4	109.7051	0.041	8	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|H<1>,3|N<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.8787	0.086	4	109.8787	0.007	4	109.7051	0.041	8	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	H(C[6,6]C[4x6]N[3x6]H)	109.5403	0.070	10	109.5403	0.005	10	109.5403	0.005	10	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2278	0.072	4	109.1390	0.019	8	109.2540	0.031	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0503	0.134	4	109.1390	0.019	8	109.2540	0.031	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4155	0.013	4	109.4129	0.003	8	109.2540	0.031	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4103	0.078	4	109.4129	0.003	8	109.2540	0.031	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]HH)3(BH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(BH3){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0785	0.026	2	109.0785	0.001	2	109.2540	0.031	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4740	0.143	7	109.4740	0.020	7	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6822	0.162	6	109.6822	0.026	6	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	107.7370	1.387	6	107.7370	1.923	6	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7151	0.088	7	109.7151	0.008	7	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7722	0.108	6	109.7722	0.012	6	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	107.6285	2.243	6	107.6285	5.030	6	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9649	0.156	8	109.9649	0.024	8	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7571	0.121	8	109.7571	0.015	8	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8028	0.090	4	109.8028	0.008	4	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5270	0.028	4	109.5270	0.001	4	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6830	0.046	4	109.6830	0.002	4	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CBrHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CBrHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7294	0.027	5	109.7294	0.001	5	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8232	0.064	6	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9399	0.123	12	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8090	0.107	6	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8257	0.087	8	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8782	0.206	150	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7081	0.083	42	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6765	0.193	72	109.8036	0.041	296	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9705	0.156	54	109.9500	0.024	68	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8709	0.125	14	109.9500	0.024	68	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7171	1.439	26	109.7438	0.908	59	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7648	0.162	33	109.7438	0.908	59	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9425	0.084	6	109.9559	0.010	12	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9693	0.117	6	109.9559	0.010	12	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.9800	0.204	2	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0189	0.141	9	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0585	0.094	8	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.1845	1.133	69	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.9384	0.147	37	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2830	0.240	7	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.7008	0.235	162	109.8489	0.387	294	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6356	0.180	23	109.6356	0.032	23	109.7882	0.334	823	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OLi3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(OLi3){1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0788	0.050	5	110.0788	0.003	5	110.0788	0.003	5	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B[3x6]-4:	C[6,6]-4:	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3){12|H<1>,4|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	109.4297	0.028	4	109.4297	0.001	4	109.4297	0.001	4	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4103	0.029	3	109.4103	0.001	3	109.3758	0.003	13	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3655	0.061	10	109.3655	0.004	10	109.3758	0.003	13	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:In-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(InCl2In)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(InCl2In){1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5651	0.643	18	109.5651	0.414	18	109.5651	0.414	18	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.6773	0.057	8	109.6773	0.003	8	109.7192	0.012	12	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.8030	0.146	4	109.8030	0.021	4	109.7192	0.012	12	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0815	3.535	2	109.0815	12.495	2	109.0815	12.495	2	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0795	0.029	4	109.0795	0.001	4	108.8464	0.244	25	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1107	0.135	4	109.1107	0.018	4	108.8464	0.244	25	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.8595	0.029	2	108.7420	0.019	4	108.8464	0.244	25	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.6245	0.036	2	108.7420	0.019	4	108.8464	0.244	25	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.7255	0.645	13	108.7255	0.417	13	108.8464	0.244	25	109.7372	0.354	938	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	4:4:4:5:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-5:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaH3W)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaH3W){1|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.3788	4.072	6	110.3788	16.577	6	110.3788	16.577	6	110.3788	16.577	6	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:1:1:	5:4:4:4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	B[4x3,4x5,4x6]-5:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3{10|H<1>,1|C<4>,4|B<6>}	H(C[6,6]C[6,6]N[3x6]H)	109.3178	0.105	6	109.3178	0.011	6	109.3178	0.011	6	109.3178	0.011	6	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]C[6])	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]C[6])	107.0995	0.255	2	107.0995	0.065	2	107.0995	0.065	2	107.0995	0.065	2	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.0886	2.137	11	106.0886	4.565	11	106.6838	3.839	44	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.5750	0.000	1	108.5750	0.000	1	106.6838	3.839	44	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.7198	1.907	30	106.7198	3.639	30	106.6838	3.839	44	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.4715	0.122	2	108.4715	0.015	2	106.6838	3.839	44	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	105.6300	0.000	1	105.6300	0.000	1	107.3707	3.021	3	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	107.3760	0.000	1	108.2410	1.496	2	107.3707	3.021	3	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:1:	4:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3(H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	109.1060	0.000	1	108.2410	1.496	2	107.3707	3.021	3	106.7277	3.749	47	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.7570	0.434	2	106.6668	0.074	4	106.6668	0.074	4	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.5765	0.019	2	106.6668	0.074	4	106.6668	0.074	4	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.0540	0.000	1	107.0540	0.000	1	106.5935	1.864	11	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	105.5757	2.524	3	105.5757	6.369	3	106.5935	1.864	11	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.1483	0.270	4	107.1483	0.073	4	106.5935	1.864	11	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.5085	0.907	2	106.5085	0.823	2	106.5935	1.864	11	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.1380	0.000	1	107.1380	0.000	1	106.5935	1.864	11	106.6131	1.349	15	109.6798	1.096	3964	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	4:4:1:1:	4:4:4:4:	4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.4795	0.037	2	109.4795	0.001	2	109.6340	0.072	3	109.6340	0.072	3	109.6340	0.072	3	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	4:4:1:1:	4:4:4:4:	4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.9430	0.000	1	109.9430	0.000	1	109.6340	0.072	3	109.6340	0.072	3	109.6340	0.072	3	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.0475	0.037	2	108.0475	0.001	2	108.0475	0.001	2	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4780	0.362	2	108.4780	0.131	2	107.7831	0.266	8	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5515	0.299	6	107.5515	0.089	6	107.7831	0.266	8	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8543	0.671	4	107.8543	0.450	4	107.8543	0.450	4	107.7510	0.323	16	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:4:	4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	107.5975	0.363	2	107.5975	0.132	2	107.5975	0.132	2	107.5975	0.132	2	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	3:4:4:1:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.7813	0.121	6	109.7813	0.015	6	109.7813	0.015	6	109.7813	0.015	6	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:1:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	H(C[6,6]N[6,6]2H)	109.9785	0.082	4	109.9785	0.007	4	109.9785	0.007	4	109.9785	0.007	4	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	H(C[6,6]N[6,6]2H)	109.4673	0.007	4	109.4673	0.000	4	109.4673	0.000	4	109.4673	0.000	4	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4720	0.001	3	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:1:1:	4:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	N[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]N[6,6]H)	109.4875	0.036	2	109.4875	0.001	2	109.4875	0.001	2	109.4720	0.001	3	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.0120	0.000	1	110.0120	0.000	1	110.0729	0.011	7	109.7715	0.316	10	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.0382	0.108	4	110.0830	0.012	6	110.0729	0.011	7	109.7715	0.316	10	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.1725	0.046	2	110.0830	0.012	6	110.0729	0.011	7	109.7715	0.316	10	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.7715	0.316	10	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	108.7375	0.013	2	108.7375	0.000	2	108.7375	0.000	2	109.7715	0.316	10	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.9105	0.009	2	109.9105	0.000	2	109.9990	0.005	6	109.9990	0.005	6	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.0433	0.024	4	110.0433	0.001	4	109.9990	0.005	6	109.9990	0.005	6	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:3:1:	4:4:4:4:	4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	H(C[6,6]N[6,6]Ga[6]N[6])	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	H(C[6,6]N[6,6]Ga[6]N[6])	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:1:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.2800	0.000	1	108.2985	0.001	2	108.2985	0.001	2	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.3170	0.000	1	108.2985	0.001	2	108.2985	0.001	2	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6910	0.000	1	107.5565	0.036	2	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.4220	0.000	1	107.5565	0.036	2	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6070	0.067	3	107.1688	1.304	13	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5678	0.367	6	107.1688	1.304	13	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6840	0.646	2	107.1688	1.304	13	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	104.0060	0.000	1	107.1688	1.304	13	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	105.5930	0.000	1	107.1688	1.304	13	107.2205	1.139	15	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4840	0.222	2	108.4840	0.049	2	108.4840	0.049	2	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6630	0.000	1	108.2830	0.289	2	107.0370	4.802	3	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9030	0.000	1	108.2830	0.289	2	107.0370	4.802	3	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	104.5450	0.000	1	104.5450	0.000	1	107.0370	4.802	3	107.4742	1.316	25	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	105.7963	1.358	3	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	104.4660	0.000	1	104.4660	0.000	1	104.4660	0.000	1	105.7963	1.358	3	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:4:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	105.7963	1.358	3	108.3849	2.147	81	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.4080	0.019	2	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.4080	0.019	2	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.1800	0.774	2	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.1800	0.774	2	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2N[6])	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4645	0.510	2	107.4645	0.260	2	107.8110	0.267	4	107.9655	0.223	6	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3330	0.000	1	108.3330	0.000	1	107.8110	0.267	4	107.9655	0.223	6	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9820	0.000	1	107.9820	0.000	1	107.8110	0.267	4	107.9655	0.223	6	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2745	0.166	2	108.2745	0.028	2	108.2745	0.028	2	107.9655	0.223	6	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.2330	0.000	1	108.2017	0.002	3	107.3084	2.202	16	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.1860	0.052	2	108.2017	0.002	3	107.3084	2.202	16	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.9854	2.048	8	106.9854	4.195	8	107.3084	2.202	16	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.6740	0.000	1	107.6740	0.000	1	107.3084	2.202	16	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.1933	0.285	4	107.1933	0.081	4	107.3084	2.202	16	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.5000	0.000	1	108.5000	0.000	1	106.6718	5.455	4	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.8760	0.000	1	108.8760	0.000	1	106.6718	5.455	4	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	104.6555	0.182	2	104.6555	0.033	2	106.6718	5.455	4	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	105.8880	0.000	1	105.8880	0.000	1	107.1693	0.821	4	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.5963	0.371	3	107.5963	0.138	3	107.1693	0.821	4	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[6,6]2N[6])	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	102.6290	0.000	1	102.6290	0.000	1	107.0914	12.926	5	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	105.5830	0.000	1	105.5830	0.000	1	107.0914	12.926	5	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	112.5080	0.000	1	112.5080	0.000	1	107.0914	12.926	5	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2650	0.000	1	107.2650	0.000	1	107.0914	12.926	5	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4720	0.000	1	107.4720	0.000	1	107.0914	12.926	5	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.8020	0.255	2	106.8020	0.065	2	106.8020	0.065	2	107.1168	3.320	33	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:3:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.9210	0.320	2	106.9210	0.102	2	106.9210	0.102	2	106.9210	0.102	2	107.4122	2.794	47	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[4x6]	H	4:4:1:1:	4:4:4:4:	4:	N[4x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	H(C[6]N[4x6]C[6]H)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]N[4x6]C[6]H)	108.8495	0.035	2	108.8495	0.001	2	108.8495	0.001	2	108.8495	0.001	2	108.8495	0.001	2	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.9112	0.066	8	108.9112	0.004	8	108.9112	0.004	8	108.9112	0.004	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.1995	0.016	2	109.1995	0.000	2	109.1995	0.000	2	109.2216	0.018	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.1195	0.012	2	109.1195	0.000	2	109.1195	0.000	2	109.2216	0.018	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2837	0.170	4	109.2837	0.029	4	109.2837	0.029	4	109.2216	0.018	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	3:4:4:1:	4:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.5307	0.102	6	109.5307	0.010	6	109.5307	0.010	6	109.5307	0.010	6	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.3019	0.138	8	109.3019	0.019	8	109.3019	0.019	8	109.1596	0.102	18	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	H(C[6]N[6,6]C[6]H)	109.2930	0.016	2	109.2930	0.000	2	109.2930	0.000	2	109.1596	0.102	18	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:1:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	H(C[6]N[6,6]N[6]H)	108.9839	0.407	8	108.9839	0.165	8	108.9839	0.165	8	109.1596	0.102	18	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	H(C[6]N[6,6]N[6]H)	109.4655	0.022	4	109.4655	0.000	4	109.4763	0.001	7	109.4511	0.006	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	H(C[6]N[6,6]N[6]H)	109.4907	0.027	3	109.4907	0.001	3	109.4763	0.001	7	109.4511	0.006	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	H(C[6]N[6,6]N[6]H)	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	109.4511	0.006	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:1:	4:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]N[6,6]C[5a]C[6])	108.3100	0.000	1	107.9790	0.219	2	107.9790	0.219	2	107.7657	0.246	3	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:1:	4:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]N[6,6]C[5a]C[6])	107.6480	0.000	1	107.9790	0.219	2	107.9790	0.219	2	107.7657	0.246	3	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6a]C[6])	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	107.7657	0.246	3	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	3:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.9605	0.268	8	108.9605	0.072	8	108.9605	0.072	8	108.9605	0.072	8	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.3140	0.007	2	109.3140	0.000	2	109.5730	0.090	4	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.8320	0.023	2	109.8320	0.001	2	109.5730	0.090	4	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	108.7370	0.054	4	108.7370	0.003	4	108.7370	0.003	4	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.5130	0.007	2	109.5130	0.000	2	109.5130	0.000	2	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.0300	0.048	2	109.0300	0.002	2	109.1940	0.018	6	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.2760	0.039	4	109.2760	0.002	4	109.1940	0.018	6	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	H(C[6]C[5,6]N[6,6]H)	108.5225	0.015	2	108.5225	0.000	2	108.5225	0.000	2	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	106.3575	2.242	2	108.9522	1.301	17	108.9522	1.301	17	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.4046	0.153	9	108.9522	1.301	17	108.9522	1.301	17	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1387	0.129	6	108.9522	1.301	17	108.9522	1.301	17	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4294	0.062	8	109.4294	0.004	8	109.5177	0.023	32	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6983	0.255	4	109.5590	0.041	10	109.5177	0.023	32	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4662	0.095	6	109.5590	0.041	10	109.5177	0.023	32	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5386	0.131	14	109.5386	0.017	14	109.5177	0.023	32	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0140	0.000	1	109.0140	0.000	1	109.3949	0.088	15	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4175	0.028	2	109.4175	0.001	2	109.3949	0.088	15	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5325	0.023	2	109.5325	0.001	2	109.3949	0.088	15	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2824	0.262	8	109.2824	0.069	8	109.3949	0.088	15	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8755	0.040	2	109.8755	0.002	2	109.3949	0.088	15	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4145	0.071	4	109.4145	0.005	4	109.4145	0.005	4	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4935	0.016	2	109.4935	0.000	2	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5405	0.030	2	109.3511	0.031	14	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3195	0.170	12	109.3511	0.031	14	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6595	0.006	2	109.6595	0.000	2	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8284	0.109	8	109.8284	0.012	8	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0510	0.073	3	109.0510	0.005	3	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	108.8090	0.006	2	108.8090	0.000	2	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5978	0.039	12	109.5978	0.002	12	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.0482	0.066	4	109.0482	0.004	4	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.2270	1.563	7	108.9800	1.003	22	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.3313	0.205	15	108.9800	1.003	22	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.2690	0.000	1	109.2690	0.000	1	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	106.1668	1.599	4	106.1668	2.555	4	109.1281	1.003	74	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2373	0.105	4	109.2373	0.011	4	109.2373	0.011	4	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	107.0600	2.263	2	107.0600	5.120	2	107.0600	5.120	2	109.1949	0.719	166	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:2:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4330	0.018	2	109.4330	0.000	2	109.4330	0.000	2	109.4330	0.000	2	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.8645	0.046	2	108.8645	0.002	2	108.6848	0.030	6	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.5950	0.131	4	108.5950	0.017	4	108.6848	0.030	6	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	N[6,6](C[6]C[6]HH)4	H(C[6]N[6,6]C[6]H)	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	H(C[6]N[6,6]C[6]H)	109.2926	0.376	10	109.2926	0.142	10	109.2926	0.142	10	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6160	0.040	2	108.6160	0.002	2	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1066	0.051	5	109.0427	0.016	7	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.8830	0.115	2	109.0427	0.016	7	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0490	0.016	2	109.0490	0.000	2	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.8925	0.022	2	109.2957	0.050	10	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4100	0.090	6	109.2957	0.050	10	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3560	0.023	2	109.2957	0.050	10	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4660	0.027	2	109.4660	0.001	2	109.1530	0.074	23	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	106.1205	0.370	2	106.1205	0.137	2	106.1205	0.137	2	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1407	0.046	3	109.1407	0.002	3	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5190	0.044	2	109.5190	0.002	2	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.8745	0.066	2	108.8745	0.004	2	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	108.9355	0.005	2	108.9435	0.001	4	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	108.9515	0.057	2	108.9435	0.001	4	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3093	0.038	4	109.3093	0.001	4	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3513	0.096	7	109.3513	0.009	7	109.2127	0.046	22	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	109.0287	0.016	3	109.0885	0.005	21	109.1100	0.025	32	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	109.0985	0.073	18	109.0885	0.005	21	109.1100	0.025	32	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:1:1:	4:4:4:4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6]HH)4	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	H(C[6]N[6,6]C[6]H)	109.1511	0.254	11	109.1511	0.065	11	109.1100	0.025	32	109.0736	0.259	95	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6]N[6,6]C)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]C)	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	106.9060	0.000	2	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:4:4:1:	4:4:4:1:	4:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]C)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	106.9060	0.000	2	109.1319	0.511	324	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	103.6090	0.000	1	105.6480	8.315	2	105.6480	8.315	2	103.3632	19.491	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.6870	0.000	1	105.6480	8.315	2	105.6480	8.315	2	103.3632	19.491	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	98.8911	0.259	2	98.8911	0.067	2	101.8400	26.123	3	103.3632	19.491	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7380	0.000	1	107.7380	0.000	1	101.8400	26.123	3	103.3632	19.491	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.5547	0.153	4	109.5547	0.023	4	109.5547	0.023	4	109.5547	0.023	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9710	0.000	1	107.0560	7.139	3	109.2554	5.359	8	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	105.5985	1.238	2	107.0560	7.139	3	109.2554	5.359	8	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.5750	0.066	5	110.5750	0.004	5	109.2554	5.359	8	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.6357	0.172	6	109.6357	0.030	6	109.6357	0.030	6	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2525	0.054	2	109.2525	0.003	2	109.1169	0.015	9	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9970	0.015	4	108.9970	0.000	4	109.1169	0.015	9	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1863	0.061	3	109.1863	0.004	3	109.1169	0.015	9	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6]2H)	110.0190	0.041	2	110.0190	0.002	2	110.0190	0.002	2	109.3579	1.655	25	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0825	0.005	2	109.0825	0.000	2	109.0825	0.000	2	109.0825	0.000	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.3390	0.062	2	109.3390	0.004	2	109.6608	0.139	4	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9825	0.021	2	109.9825	0.000	2	109.6608	0.139	4	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.1875	0.021	2	109.1875	0.000	2	109.1875	0.000	2	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1755	0.008	2	109.1755	0.000	2	108.9250	1.066	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.2050	1.930	2	108.2050	3.726	2	108.9250	1.066	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3945	0.029	2	109.3945	0.001	2	108.9250	1.066	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3800	0.037	2	109.4545	0.008	4	109.4277	0.006	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5290	0.008	2	109.4545	0.008	4	109.4277	0.006	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3740	0.006	2	109.3740	0.000	2	109.4277	0.006	6	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	Ga[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1485	0.224	4	109.1485	0.050	4	109.1485	0.050	4	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	109.2372	0.331	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:B[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	108.3768	0.619	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8800	0.076	2	108.8800	0.006	2	108.8800	0.006	2	108.3768	0.619	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2{2|C<3>}	H(C[6]C[6,6a]N[6]H)	107.5480	0.407	2	107.5480	0.166	2	107.5480	0.166	2	108.3768	0.619	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	5:4:3:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	In[6]-5:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8400	0.075	2	108.8400	0.006	2	108.8400	0.006	2	108.8400	0.006	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	5:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2610	0.019	3	109.2610	0.000	3	109.2610	0.000	3	109.1102	0.043	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	5:4:4:1:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8840	0.034	2	108.8840	0.001	2	108.8840	0.001	2	109.1102	0.043	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	5:4:4:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	In[4,6]-5:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.0477	0.194	3	108.0477	0.037	3	108.0477	0.037	3	108.0477	0.037	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:2:1:	5:4:4:1:	4:	C[6,6a]-3:N[6]-4:O-2:H-1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]N[6]O)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:4:4:	4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	100.1465	0.306	2	100.1465	0.094	2	100.1465	0.094	2	100.0267	0.090	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:4:4:	4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]N[6])	99.7869	0.000	1	99.7869	0.000	1	99.7869	0.000	1	100.0267	0.090	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	6:4:4:4:	4:	C[6,6a]-3:N[6]-4:N-3:H-1:	Nb[6,6]-6:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2{5|C<3>}	H(C[6]C[6,6a]N[6]N)	105.1030	0.000	1	105.1030	0.000	1	105.1030	0.000	1	105.1030	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.8040	0.000	1	108.8040	0.000	1	108.7337	0.012	3	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.6100	0.000	1	108.6100	0.000	1	108.7337	0.012	3	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.7870	0.000	1	108.7870	0.000	1	108.7337	0.012	3	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2835	0.401	2	108.2835	0.161	2	108.2835	0.161	2	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0410	0.000	1	108.0410	0.000	1	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8370	0.000	1	107.7080	0.013	3	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6435	0.006	2	107.7080	0.013	3	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7880	0.000	1	107.7880	0.000	1	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7310	0.000	1	107.7310	0.000	1	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5290	0.000	1	107.5290	0.000	1	107.7447	0.028	7	108.0817	0.227	12	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:4:4:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.4835	0.105	2	107.4835	0.011	2	107.4835	0.011	2	107.4835	0.011	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.7535	0.019	2	109.7535	0.000	2	109.7535	0.000	2	109.7535	0.000	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	96.3209	18.580	2	96.3209	345.219	2	96.3209	345.219	2	96.3209	345.219	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2280	0.083	2	109.2280	0.007	2	109.2280	0.007	2	109.2280	0.007	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.1672	0.067	4	109.1672	0.005	4	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4968	1.269	6	108.4968	1.611	6	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8085	0.214	2	109.8085	0.046	2	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2080	3.486	2	109.2080	12.152	2	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	106.3095	2.990	2	106.3095	8.942	2	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.4990	0.013	2	108.4990	0.000	2	108.6278	2.631	18	108.6278	2.631	18	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.3907	0.318	4	109.3907	0.101	4	109.3046	0.045	14	108.3792	8.520	20	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.3230	0.136	8	109.3230	0.018	8	109.3046	0.045	14	108.3792	8.520	20	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0585	0.018	2	109.0585	0.000	2	109.3046	0.045	14	108.3792	8.520	20	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0645	0.035	2	109.0645	0.001	2	109.0645	0.001	2	108.3792	8.520	20	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:1:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	H(C[6]N[6]2H)	104.7977	5.688	4	104.7977	32.352	4	104.7977	32.352	4	108.3792	8.520	20	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4975	0.045	2	108.4975	0.002	2	108.8178	0.811	13	108.8178	0.811	13	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	H(C[6]C[6]N[6]H)	109.2487	0.169	7	109.2487	0.029	7	108.8178	0.811	13	108.8178	0.811	13	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.1795	2.576	2	108.1795	6.636	2	108.8178	0.811	13	108.8178	0.811	13	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2685	0.015	2	108.2685	0.000	2	108.8178	0.811	13	108.8178	0.811	13	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9770	0.495	2	106.9770	0.245	2	106.9770	0.245	2	106.9770	0.245	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0760	0.000	1	108.0760	0.000	1	107.8993	0.155	3	107.8993	0.155	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8110	0.513	2	107.8110	0.264	2	107.8993	0.155	3	107.8993	0.155	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:4:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	102.0380	0.000	1	102.0380	0.000	1	102.0380	0.000	1	104.2905	10.148	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.5430	0.000	1	106.5430	0.000	1	106.5430	0.000	1	104.2905	10.148	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1030	0.025	2	108.1030	0.001	2	108.1030	0.001	2	107.9626	0.041	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7420	0.018	2	107.7420	0.000	2	107.7420	0.000	2	107.9626	0.041	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	107.9626	0.041	5	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.3690	0.000	1	106.3690	0.000	1	106.0960	0.149	2	106.0960	0.149	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	105.8230	0.000	1	105.8230	0.000	1	106.0960	0.149	2	106.0960	0.149	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	10:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	Nb[5x3,4,6]-10:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8645	0.035	2	109.8645	0.001	2	109.8645	0.001	2	109.8645	0.001	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5132	0.104	4	109.5132	0.011	4	109.5132	0.011	4	109.5132	0.011	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	106.1090	0.574	4	106.1090	0.329	4	106.1090	0.329	4	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7006	0.117	7	109.7006	0.014	7	109.2953	3.364	45	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4607	0.139	3	109.4607	0.019	3	109.2953	3.364	45	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5719	0.139	12	109.2001	4.304	35	109.2953	3.364	45	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.9081	2.735	20	109.2001	4.304	35	109.2953	3.364	45	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6593	0.127	3	109.2001	4.304	35	109.2953	3.364	45	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	106.9840	1.744	4	106.9840	3.040	4	106.9840	3.040	4	108.8804	4.057	53	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7365	0.027	4	109.7365	0.001	4	109.7365	0.001	4	109.6700	0.008	8	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5355	0.012	2	109.5355	0.000	2	109.6035	0.006	4	109.6700	0.008	8	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	3:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6715	0.019	2	109.6715	0.000	2	109.6035	0.006	4	109.6700	0.008	8	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:2:4:4:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	H(C[6]Si[6]N[6]H)	108.6110	0.058	2	108.6110	0.003	2	108.2373	0.188	4	108.2373	0.188	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:2:4:4:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	H(C[6]Si[6]N[6]H)	107.8635	0.035	2	107.8635	0.001	2	108.2373	0.188	4	108.2373	0.188	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	105.9020	2.263	2	105.9020	5.120	2	105.9020	5.120	2	105.9020	5.120	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7265	0.015	2	108.7265	0.000	2	108.7265	0.000	2	108.7265	0.000	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	H(C[6]B[6]N[6]H)	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]B[6]N[6]H)	106.3875	1.708	2	106.3875	2.916	2	106.3875	2.916	2	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.5687	0.076	4	109.5687	0.006	4	109.5687	0.006	4	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	108.3912	1.147	4	108.3912	1.317	4	108.8939	1.546	75	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.3070	0.082	2	109.3070	0.007	2	108.8939	1.546	75	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	108.7908	1.051	35	108.7908	1.105	35	108.8939	1.546	75	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.0350	1.461	34	109.0350	2.135	34	108.8939	1.546	75	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.5175	1.288	2	108.5175	1.658	2	108.5175	1.658	2	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4637	0.090	3	109.4637	0.008	3	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3730	0.174	7	109.3730	0.030	7	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	107.6295	3.789	2	108.5958	6.032	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5620	0.044	2	108.5958	6.032	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4590	0.018	2	108.9782	0.626	10	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.4850	0.074	2	108.9782	0.626	10	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3157	0.063	6	108.9782	0.626	10	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4755	0.011	2	109.4755	0.000	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.0065	0.379	4	110.0065	0.144	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7422	0.234	4	109.7422	0.055	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3114	0.231	16	109.3361	0.443	50	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7997	0.840	4	109.3361	0.443	50	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3243	1.188	12	109.3361	0.443	50	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4851	0.317	18	109.3361	0.443	50	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6683	1.209	12	109.6683	1.461	12	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2865	0.012	2	109.2865	0.000	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5010	0.095	3	109.5010	0.009	3	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4710	0.028	2	109.4710	0.001	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	106.5055	1.515	2	106.5055	2.296	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5772	0.021	4	109.5772	0.000	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7950	0.040	2	109.7950	0.002	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.6715	2.203	4	109.0664	1.550	39	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	107.7308	1.540	4	109.0664	1.550	39	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4114	0.797	30	109.0664	1.550	39	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6380	0.000	1	109.0664	1.550	39	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5165	0.093	2	109.5165	0.009	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6099	0.128	15	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2343	1.002	4	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4722	0.523	118	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6678	0.152	17	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6540	0.018	2	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7045	0.016	2	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4220	0.000	1	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5880	0.180	22	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9290	1.507	4	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5754	0.168	12	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1667	1.410	12	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7220	0.033	2	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8864	0.268	5	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0216	0.914	12	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0307	1.596	190	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6875	0.553	19	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8737	0.642	6	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7065	0.008	2	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3313	0.911	201	109.3005	1.181	646	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8985	0.008	2	109.8435	0.004	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7885	0.013	2	109.8435	0.004	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0282	0.273	6	110.0282	0.075	6	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	108.2968	1.891	4	108.2968	3.578	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6240	0.000	1	109.6240	0.000	1	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2570	0.010	2	109.2570	0.000	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4235	0.008	2	109.4235	0.000	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3877	0.791	24	109.3877	0.626	24	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2020	0.031	2	109.2373	0.714	93	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2585	0.828	66	109.2373	0.714	93	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4421	0.157	23	109.2373	0.714	93	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	106.2195	1.156	2	109.2373	0.714	93	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3452	0.593	8	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6925	0.023	2	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7110	0.004	2	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7035	0.006	2	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8265	0.012	2	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4076	0.513	67	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5135	0.046	2	109.4349	0.247	85	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7017	0.194	11	109.7017	0.037	11	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4464	0.577	517	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9131	1.218	31	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	115.1090	0.976	2	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6963	2.004	6	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8003	0.104	4	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9660	0.035	2	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5501	0.334	61	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3546	0.870	69	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3364	1.679	1529	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5020	0.030	3	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7300	0.070	8	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	107.0790	0.679	2	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6543	0.129	4	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4382	0.168	6	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8897	0.036	3	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5942	0.225	30	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5635	0.018	2	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3185	1.492	86	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3143	0.850	164	109.3651	1.981	2529	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8835	0.043	4	109.8835	0.002	4	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7927	0.077	3	109.7927	0.006	3	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	108.2715	2.273	2	108.2715	5.168	2	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3283	1.436	451	109.3382	2.033	459	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9455	0.337	6	109.3382	2.033	459	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7405	0.047	2	109.3382	2.033	459	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3258	0.118	19	109.3258	0.014	19	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]N[6]H)	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1097	0.066	3	109.1097	0.004	3	109.3480	1.726	4049	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8435	0.011	2	109.8435	0.000	2	109.8435	0.000	2	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	105.3620	1.632	2	105.3620	2.663	2	109.0389	2.637	14	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6517	0.083	12	109.6517	0.007	12	109.0389	2.637	14	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	106.6285	1.719	2	106.6285	2.955	2	108.6132	2.960	6	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6055	0.100	4	109.6055	0.010	4	108.6132	2.960	6	109.3363	1.733	4154	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	N[6](C[6]C[6]HH)2(OH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4467	0.014	4	109.4467	0.000	4	109.4467	0.000	4	109.4467	0.000	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:3:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2007	0.215	4	109.2007	0.046	4	109.2007	0.046	4	109.2007	0.046	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[5,6]HH)2(CH3)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.5747	0.043	3	109.5747	0.002	3	109.5747	0.002	3	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	109.6685	0.006	2	109.6685	0.000	2	109.6685	0.000	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.3900	0.033	2	109.3900	0.001	2	108.6961	2.433	14	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5120	0.027	2	109.5120	0.001	2	108.6961	2.433	14	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	105.7270	3.198	2	105.7270	10.224	2	108.6961	2.433	14	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.8568	0.153	4	108.8568	0.023	4	108.6961	2.433	14	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.2650	0.048	4	109.2650	0.002	4	108.6961	2.433	14	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.3580	1.233	2	107.3580	1.521	2	107.5600	2.266	7	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.2078	1.655	4	107.2078	2.737	4	107.5600	2.266	7	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.3730	0.000	1	109.3730	0.000	1	107.5600	2.266	7	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4235	0.040	4	109.5042	0.017	6	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6655	0.019	2	109.5042	0.017	6	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6545	0.090	2	109.6545	0.008	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5140	0.111	6	109.5140	0.012	6	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2533	0.889	15	109.2533	0.790	15	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.0790	2.069	2	107.0790	4.281	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4127	0.244	6	109.4127	0.060	6	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.6790	0.014	2	108.6790	0.000	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4980	0.017	2	109.4980	0.000	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	107.0365	1.637	2	107.0365	2.680	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4115	0.169	2	109.4115	0.029	2	109.1578	0.897	45	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5736	0.068	14	109.5736	0.005	14	109.4109	0.057	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	N[6](C[6]C[6]HH)2(BH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1261	0.127	8	109.1261	0.016	8	109.4109	0.057	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2760	0.074	2	109.2760	0.005	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5530	0.027	2	109.5530	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9265	0.039	2	108.9265	0.002	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1630	0.045	2	109.1630	0.002	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.6215	0.021	2	109.6215	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1060	0.059	2	109.1060	0.004	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3490	0.024	2	109.3490	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9085	0.012	2	108.9085	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8400	0.000	1	109.8400	0.000	1	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1815	0.028	2	109.1815	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	106.7190	2.072	2	106.7190	4.292	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7915	0.008	2	109.7915	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7580	0.028	2	108.7580	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8080	0.055	2	108.8080	0.003	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6205	1.844	4	109.6263	2.040	6	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6380	0.041	2	109.6263	2.040	6	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1430	0.042	2	109.1430	0.002	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3270	0.013	2	109.3270	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CBHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	106.0015	1.176	4	106.0015	1.382	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2360	0.030	2	109.2360	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4747	0.049	3	109.4747	0.002	3	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4047	0.196	84	109.3801	0.225	211	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4498	0.113	16	109.3801	0.225	211	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5346	0.088	15	109.3801	0.225	211	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7350	0.008	2	109.3801	0.225	211	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3355	0.674	94	109.3801	0.225	211	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	106.3263	0.495	4	106.3263	0.245	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3161	0.139	15	109.3161	0.019	15	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5260	0.174	18	109.5260	0.030	18	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4745	0.033	2	109.4868	0.011	9	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4903	0.121	7	109.4868	0.011	9	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4765	0.030	2	109.4802	0.044	68	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5115	0.212	54	109.4802	0.044	68	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5100	0.006	2	109.4802	0.044	68	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3060	0.147	10	109.4802	0.044	68	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0289	0.445	8	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4812	0.161	10	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	106.0487	4.329	4	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.5558	1.556	39	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5875	0.011	2	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4897	0.211	18	108.8260	2.475	81	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5080	0.107	8	109.5080	0.011	8	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHPP)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5645	0.045	4	109.5645	0.002	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3495	0.107	11	109.3495	0.011	11	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3350	0.027	2	109.3350	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0920	0.038	2	109.0920	0.001	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4233	0.673	12	109.4233	0.453	12	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4030	0.000	1	109.4030	0.000	1	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8040	0.020	2	108.8040	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1240	0.000	1	109.0432	0.037	5	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0230	0.216	4	109.0432	0.037	5	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9355	0.016	2	108.9355	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3975	0.013	2	109.3975	0.000	2	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7070	0.090	4	109.7070	0.008	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3735	0.073	2	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1521	0.989	147	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5340	0.056	4	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3530	0.040	2	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2048	0.703	56	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4325	0.022	2	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8753	1.199	54	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0962	0.900	105	109.1120	0.904	372	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8423	0.056	4	109.8423	0.003	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2875	0.119	4	109.2875	0.014	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5593	0.193	3	109.3070	0.032	22	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2672	0.145	19	109.3070	0.032	22	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2290	0.061	2	109.2429	0.883	34	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4413	0.138	3	109.2429	0.883	34	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6172	0.117	4	109.2429	0.883	34	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5503	0.196	13	109.2429	0.883	34	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7379	1.465	12	109.2429	0.883	34	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4293	0.773	12	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5223	0.208	131	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5146	0.138	8	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5265	0.124	4	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2528	0.747	101	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6722	0.077	4	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5589	0.171	30	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2955	0.016	2	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2985	0.778	123	109.3906	0.361	415	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4839	0.224	16	109.4839	0.050	16	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5790	0.004	2	108.9697	2.361	109	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9583	1.549	107	108.9697	2.361	109	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6140	0.635	8	109.6140	0.403	8	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6065	0.421	26	109.6065	0.177	26	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6268	0.185	69	109.6268	0.034	69	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6338	0.178	23	109.6338	0.032	23	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7392	0.024	4	109.7392	0.001	4	109.2675	0.756	1613	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2523	0.149	4	109.3704	0.029	8	108.7982	2.276	20	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4885	0.092	4	109.3704	0.029	8	108.7982	2.276	20	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	106.0412	1.221	4	107.4799	3.982	7	108.7982	2.276	20	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3980	0.223	3	107.4799	3.982	7	108.7982	2.276	20	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CH3)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7284	0.106	5	109.7284	0.011	5	108.7982	2.276	20	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.5979	0.087	8	109.3378	0.251	14	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.5300	0.062	3	109.3378	0.251	14	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	108.4520	0.315	3	109.3378	0.251	14	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.1277	0.426	4	109.1277	0.181	4	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.3007	0.026	3	109.2060	0.011	6	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.1113	0.027	3	109.2060	0.011	6	109.2698	0.175	24	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2255	0.052	2	109.2255	0.003	2	109.2255	0.003	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.2335	2.048	2	107.2335	4.196	2	107.2335	4.196	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.0995	2.115	2	107.0995	4.473	2	107.0995	4.473	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:H-1:	C[6]-4:	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0910	0.033	2	109.0910	0.001	2	109.0910	0.001	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	H(C[6]C[6]N[6]H)	109.5863	0.045	3	109.5863	0.002	3	108.1210	3.270	6	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	H(C[6]C[6]N[6]H)	106.6557	1.316	3	106.6557	1.732	3	108.1210	3.270	6	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7279	0.150	8	109.7279	0.023	8	109.7279	0.023	8	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.7803	0.032	4	109.5062	0.045	15	109.5462	0.039	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.4065	0.149	11	109.5062	0.045	15	109.5462	0.039	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	H(C[6]C[6]N[6]H)	109.6235	0.098	4	109.6235	0.010	4	109.5462	0.039	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6433	0.211	3	109.6433	0.045	3	109.5462	0.039	22	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9695	0.013	2	108.9695	0.000	2	109.1599	0.246	12	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.0595	0.378	2	110.0595	0.143	2	109.1599	0.246	12	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7330	0.076	4	108.7330	0.006	4	109.1599	0.246	12	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3970	0.023	2	109.3970	0.001	2	109.1599	0.246	12	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0675	0.012	2	109.0675	0.000	2	109.1599	0.246	12	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	H(C[6]C[6]N[6]H)	109.5245	0.063	4	109.5245	0.004	4	109.5245	0.004	4	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Ga-4:H-1:	C[6]-4:	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(GaCl3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	105.2220	1.521	4	105.2220	2.313	4	105.2220	2.313	4	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3590	0.093	4	109.3590	0.009	4	109.3590	0.009	4	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	H(C[6]N[6]P[6]H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	H(C[6]N[6]P[6]H)	104.8995	2.323	2	104.8995	5.396	2	104.8995	5.396	2	109.2348	0.854	1822	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	N[6](C[6]C[6]HH)2(CH3)(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2793	0.059	3	109.2793	0.003	3	108.4037	1.781	11	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(NS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.0754	1.446	8	108.0754	2.091	8	108.4037	1.781	11	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1130	0.027	4	109.1130	0.001	4	109.5079	0.116	12	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8180	0.264	4	109.8180	0.070	4	109.5079	0.116	12	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CH3)(OP)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5927	0.088	4	109.5927	0.008	4	109.5079	0.116	12	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:2:	4:	N[6]-4:C[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.9693	1.136	24	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1705	0.012	2	109.1705	0.000	2	109.1705	0.000	2	109.1705	0.000	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6]HH)2(CH3)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.0528	0.050	4	108.1771	0.026	7	108.1771	0.026	7	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6]HH)2(CH3)2	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.3430	0.036	3	108.1771	0.026	7	108.1771	0.026	7	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7193	0.046	4	108.7193	0.002	4	108.7193	0.002	4	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1320	0.016	4	109.1320	0.000	4	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4710	0.676	4	108.4710	0.457	4	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7275	0.023	2	108.6234	1.452	45	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6186	1.233	43	108.6234	1.452	45	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8698	0.303	12	108.8698	0.092	12	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0412	0.121	16	109.0412	0.015	16	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0534	0.063	8	109.0534	0.004	8	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0486	0.078	10	109.0486	0.006	10	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1296	0.205	14	109.1296	0.042	14	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	108.2823	0.192	4	108.2823	0.037	4	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCCH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7160	0.067	6	108.7160	0.005	6	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7086	0.164	7	108.9976	0.250	96	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5510	0.856	2	108.9976	0.250	96	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2509	0.123	15	108.9976	0.250	96	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1568	0.224	11	108.9976	0.250	96	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9544	0.575	61	108.9976	0.250	96	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	108.5037	2.456	4	108.5037	6.034	4	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4270	0.000	1	108.9174	1.104	34	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9019	1.063	33	108.9174	1.104	34	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1030	0.035	7	109.1030	0.001	7	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1529	0.090	9	109.1529	0.008	9	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2810	0.047	4	109.2810	0.002	4	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	107.3465	2.195	8	107.3465	4.819	8	108.8726	0.736	285	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	H(C[6]B[6]N[6]H)	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	H(C[6]B[6]N[6]H)	106.8268	0.358	4	106.8268	0.128	4	106.8268	0.128	4	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:B-4:	C[6]-4:	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(SiC3)(BH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	107.2595	0.687	4	107.2595	0.472	4	107.2595	0.472	4	108.8082	0.791	305	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	5:4:4:4:	4:	C[6]-4:N[6]-4:H-1:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6]H)	108.7715	0.042	2	108.7715	0.002	2	108.7715	0.002	2	108.5373	0.074	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:1:1:	5:4:4:4:	4:	N[6]-4:C[6]-4:H-1:H-1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3030	0.035	2	108.3030	0.001	2	108.3030	0.001	2	108.5373	0.074	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1000	0.000	1	108.1000	0.000	1	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.2430	0.000	2	109.2430	0.000	2	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	105.7710	0.000	1	105.7710	0.000	1	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5070	0.000	1	107.2000	1.062	3	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.0465	1.408	2	107.2000	1.062	3	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7390	0.243	2	108.4410	0.296	3	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8450	0.000	1	108.4410	0.296	3	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	109.4650	0.000	1	109.4650	0.000	1	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8890	0.000	1	107.8890	0.000	1	108.0528	1.401	12	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8250	0.000	1	107.8250	0.000	1	108.0855	0.136	2	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3460	0.000	1	108.3460	0.000	1	108.0855	0.136	2	108.0575	1.196	14	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]N[6])	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.5070	0.000	1	106.5070	0.000	1	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.4790	0.081	2	109.4790	0.006	2	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8720	0.000	1	106.8720	0.000	1	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.9685	1.084	2	107.9685	1.175	2	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.0620	0.000	1	109.0620	0.000	1	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)2(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.2315	1.160	2	109.2315	1.346	2	108.4221	1.620	9	108.4892	1.485	10	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5035	0.320	2	108.5035	0.103	2	108.5880	0.044	4	108.5880	0.044	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.6725	0.045	2	108.6725	0.002	2	108.5880	0.044	4	108.5880	0.044	4	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	3:4:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6415	0.848	2	107.6415	0.719	2	107.6415	0.719	2	107.6415	0.719	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:3:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.3920	0.000	1	107.4977	0.046	3	107.4977	0.046	3	107.4977	0.046	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:3:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]C)	107.5505	0.275	2	107.4977	0.046	3	107.4977	0.046	3	107.4977	0.046	3	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.3675	0.913	2	108.3675	0.833	2	108.3675	0.833	2	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.6160	0.218	2	108.6160	0.047	2	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.2140	0.232	2	109.2140	0.054	2	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3990	0.000	1	107.3990	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.8390	0.000	1	108.8390	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8250	0.000	1	108.2248	0.159	5	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3247	0.381	4	108.2248	0.159	5	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9367	2.039	3	106.9367	4.158	3	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7540	0.237	7	108.7540	0.056	7	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4010	0.332	3	108.4010	0.110	3	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7500	0.000	1	107.6615	5.428	8	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	102.0420	0.000	1	107.6615	5.428	8	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4167	0.602	6	107.6615	5.428	8	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4840	0.000	1	108.4840	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0715	0.197	2	108.0715	0.039	2	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	106.5020	1.021	2	107.2977	2.421	3	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	108.8890	0.000	1	107.2977	2.421	3	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7675	0.438	2	107.7675	0.192	2	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	106.8590	0.000	1	106.8590	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	108.5270	0.000	1	108.5270	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9610	0.000	1	107.9610	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0583	1.283	4	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5450	0.000	1	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0716	1.399	14	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2902	3.257	36	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2130	0.000	1	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0990	0.000	1	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5970	0.000	1	108.2265	7.060	58	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0824	1.640	10	108.6534	1.340	24	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.0138	0.277	12	108.6534	1.340	24	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.3460	0.028	2	108.6534	1.340	24	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	108.6800	0.000	1	108.6800	0.000	1	108.2580	4.067	126	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]P)	106.6830	0.000	1	106.6830	0.000	1	107.5856	0.645	7	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]N[6]P)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]P)	107.7360	0.764	6	107.7360	0.583	6	107.5856	0.645	7	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	108.2333	3.834	136	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)2(CCH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3375	0.008	2	108.3375	0.000	2	108.3375	0.000	2	108.3375	0.000	2	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]N[6]C)	107.3290	0.000	1	107.3290	0.000	1	107.9455	0.760	2	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]N[6]C)	108.5620	0.000	1	108.5620	0.000	1	107.9455	0.760	2	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	105.6030	0.000	1	105.6030	0.000	1	107.2492	1.051	6	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	107.2040	0.103	2	107.2040	0.011	2	107.2492	1.051	6	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	108.8220	0.000	1	107.8280	0.764	3	107.2492	1.051	6	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	107.4810	0.000	1	107.8280	0.764	3	107.2492	1.051	6	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	107.1810	0.000	1	107.8280	0.764	3	107.2492	1.051	6	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.2425	0.098	2	107.2425	0.010	2	107.2425	0.010	2	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	107.2940	0.000	1	107.2940	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	103.7630	0.000	1	103.7630	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	106.0390	0.000	1	106.0390	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0030	0.000	1	108.0030	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0180	0.000	1	107.0180	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6470	0.000	1	107.6470	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	H(C[6]C[6]N[6]C)	105.8540	0.000	1	105.8540	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	104.1140	0.000	1	104.1140	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.3190	0.000	1	109.3190	0.000	1	106.5612	3.275	9	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.0390	0.000	1	108.3640	0.211	2	108.4407	0.123	3	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.6890	0.000	1	108.3640	0.211	2	108.4407	0.123	3	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.5940	0.000	1	108.5940	0.000	1	108.4407	0.123	3	107.1164	2.039	23	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:4:1:	5:4:4:1:	4:	N[6]-4:C[6]-4:C[6]-4:H-1:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	5:4:1:1:	4:2:4:4:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,2|C<4>,2|O<2>}	H(C[6]Si[6,6]N[6]H)	107.9377	0.347	4	107.9377	0.120	4	107.7705	0.097	11	107.7705	0.097	11	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	5:4:1:1:	4:2:4:4:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|C<4>,3|O<2>}	H(C[6]Si[6,6]N[6]H)	107.6749	0.268	7	107.6749	0.072	7	107.7705	0.097	11	107.7705	0.097	11	109.2105	1.760	6772	109.3604	1.570	11211
466	854	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	6:4:1:1:	4:2:4:4:	4:	Si[6,6]-6:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	N[6](C[6]Si[6,6]HH)(N[6]C[6])(CH3)2{2|Cl<1>,2|C<4>,2|O<2>}	H(C[6]Si[6,6]N[6]H)	107.7793	0.029	3	107.7793	0.001	3	107.7793	0.001	3	107.7793	0.001	3	109.2105	1.760	6772	109.3604	1.570	11211