478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	3:4:1:1:	C[4]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[6a]-3:C[4]-4:O-1:O-1:	C[4](C[4]C[4]HH)2(SC[6a]OO)(H)	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	C[4](C[4]C[4]HH)2(SC[6a]OO)(H){1|C<3>,1|H<1>}	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	113.4900	0.000	1	112.1980	1.333	3	112.1980	1.333	3	112.1980	1.333	3	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	3:4:1:1:	C[4]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[6a]-3:C[4]-4:O-1:O-1:	C[4](C[4]C[4]HH)2(SC[6a]OO)(H)	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	C[4](C[4]C[4]HH)2(SC[6a]OO)(H){1|Co<5>,1|H<1>}	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	111.8370	0.000	1	112.1980	1.333	3	112.1980	1.333	3	112.1980	1.333	3	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	3:4:1:1:	C[4]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[6a]-3:C[4]-4:O-1:O-1:	C[4](C[4]C[4]HH)2(SC[6a]OO)(H)	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	C[4](C[4]C[4]HH)2(SC[6a]OO)(H){1|H<1>,1|N<3>}	H(C[4]C[4]2S)	S(C[6a]C[6a]2)(C[4]C[4]2H)(O)2	111.2670	0.000	1	112.1980	1.333	3	112.1980	1.333	3	112.1980	1.333	3	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	4:1:1:1:	C[4,5]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[4]-4:Cl-1:O-1:O-1:	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH)(SClOO)(H)	H(C[4]C[4,5]C[4]S)	S(C[4]C[4,5]C[4]H)(Cl)(O)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH)(SClOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[4]C[4,5]C[4]S)	S(C[4]C[4,5]C[4]H)(Cl)(O)2	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.9975	0.000	2	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	4:1:1:1:	C[4,6]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[4]-4:F-1:O-1:O-1:	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(SFOO)(H)	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(F)(O)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(SFOO)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(F)(O)2	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	112.9975	0.000	2	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	4:3:1:1:	C[4,5]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[4]-4:C[6a]-3:O-1:O-1:	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(SC[6a]OO)(H)	H(C[4]C[4,5]C[4]S)	S(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(O)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[4]C[4,5]C[4]S)	S(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(O)2	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.1793	2.821	3	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	4:3:1:1:	C[4,6]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[4]-4:C[6a]-3:O-1:O-1:	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(SC[6a]OO)(H)	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)2	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(SC[6a]OO)(H){1|H<1>,4|C<4>}	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)2	109.2730	0.000	1	110.8570	5.018	2	110.8570	5.018	2	111.1793	2.821	3	112.0159	1.776	8	112.0159	1.776	8
478	951	952	0:SP3_SP-NON_SP3	C[4]	H	S	4:4:4:1:	4:	4:3:1:1:	C[4,6]-4:C[4]-4:S-4:H-1:	C[4]-4:	C[4]-4:C[6a]-3:O-1:O-1:	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(SC[6a]OO)(H)	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)2	C[4](C[4,6]C[4,6]C[6]O)(C[4]C[4,6]HH)(SC[6a]OO)(H){2|C<4>,3|H<1>}	H(C[4]C[4,6]C[4]S)	S(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(O)2	112.4410	0.000	1	110.8570	5.018	2	110.8570	5.018	2	111.1793	2.821	3	112.0159	1.776	8	112.0159	1.776	8
478	951	955	0:SP3_SP-NON_SP3	C[4]	H	P[5]	4:4:4:1:	4:	3:3:4:1:	P[5]-4:C[4]-4:C[4]-4:H-1:	C[4]-4:	C[5,6a]-3:C[5,6a]-3:C[4]-4:O-1:	C[4](P[5]C[5,6a]2O)(C[4]C[4]HH)2(H)	H(C[4]C[4]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2H)(O)	C[4](P[5]C[5,6a]2O)(C[4]C[4]HH)2(H){2|H<1>,4|C<3>}	H(C[4]C[4]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2H)(O){1|C<4>,4|C<3>,6|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1
478	951	956	0:SP3_SP-NON_SP2	C[4,5]	H	N	4:4:3:1:	4:	4:3:1:	C[4,5,5]-4:C[4,5,5]-4:N-3:H-1:	C[4,5]-4:	C[4,5]-4:C-3:H-1:	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5,5]C[4,5]N[5,5]H)(NCH)(H)	H(C[4,5]C[4,5,5]2N)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5,5]C[4,5]N[5,5]H)(NCH)(H){1|C<3>,4|H<1>}	H(C[4,5]C[4,5,5]2N)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	111.2390	0.000	1	111.2390	0.000	1	110.9030	0.058	5	110.9030	0.058	5	110.9030	0.058	5	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4,5]	H	N	4:4:3:1:	4:	4:3:1:	C[4,5,5]-4:C[4,5,5]-4:N-3:H-1:	C[4,5]-4:	C[4,5]-4:C-3:H-1:	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5,5]C[4,5]N[5,5]H)(NCH)(H)	H(C[4,5]C[4,5,5]2N)	N(C[4,5]C[4,5,5]2H)(COO)(H)	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5,5]C[4,5]N[5,5]H)(NCH)(H){1|C<3>,4|H<1>}	H(C[4,5]C[4,5,5]2N)	N(C[4,5]C[4,5,5]2H)(COO)(H)	110.8190	0.175	4	110.8190	0.031	4	110.9030	0.058	5	110.9030	0.058	5	110.9030	0.058	5	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	3:3:3:1:	4:	4:3:4:	N[4,5]-3:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C[6a]-3:S-4:	C[4](N[4,5]C[4,5]S[5])(C[4]C[4,5]C)(NC[6a]S)(H)	H(C[4]N[4,5]C[4]N)	N(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(SC[6a]OO)	C[4](N[4,5]C[4,5]S[5])(C[4]C[4,5]C)(NC[6a]S)(H){2|O<1>,3|C<3>}	H(C[4]N[4,5]C[4]N)	N(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(SC[6a]OO)	111.3835	0.535	2	111.3835	0.287	2	111.3835	0.287	2	111.3835	0.287	2	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	3:4:4:	C[4]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[6a]-3:C[4]-4:S-4:	C[4](C[4]C[4]CC)(C[4]C[4]C)(NC[6a]S)(H)	H(C[4]C[4]2N)	N(C[6a]C[6a]2)(C[4]C[4]2H)(SCOO)	C[4](C[4]C[4]CC)(C[4]C[4]C)(NC[6a]S)(H){1|C<3>,1|H<1>}	H(C[4]C[4]2N)	N(C[6a]C[6a]2)(C[4]C[4]2H)(SCOO)	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	4:3:1:	C[4,5]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4,5]N[4,5]S[5]H)(C[4]N[4,5]O)(NCH)(H)	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CCO)(H)	C[4](C[4,5]N[4,5]S[5]H)(C[4]N[4,5]O)(NCH)(H){1|O<1>,2|C<4>}	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CCO)(H)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	110.6897	4.152	9	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	4:3:1:	C[4,6]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NCH)(H)	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NCH)(H){1|C<3>,1|C<4>}	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(CCO)(H)	111.4253	1.492	7	111.4253	2.225	7	111.4253	2.225	7	110.6897	4.152	9	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	4:3:1:	C[4]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]S[4]HH)(C[4]S[4]O)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]S[4]HH)(C[4]S[4]O)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	110.6897	4.152	9	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	4:4:1:	C[4,6]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:S-4:H-1:	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NHS)(H)	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NHS)(H){1|C<3>,1|C<4>}	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:3:3:1:	4:	4:4:4:	C[4]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-4:C-4:	C[4](C[4]N[4]CC)(C[4]N[4]C)(NCC)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCCH)2	C[4](C[4]N[4]CC)(C[4]N[4]C)(NCC)(H){1|C<4>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCCH)2	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	3:4:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[6a]-3:C[4]-4:H-1:	C[4](C[4]C[4]HH)2(NC[6a]H)(H)	H(C[4]C[4]2N)	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	C[4](C[4]C[4]HH)2(NC[6a]H)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	110.8495	0.100	2	110.8495	0.010	2	110.8495	0.010	2	110.8495	0.010	2	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	3:4:4:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[6a]-3:C[4]-4:C-4:	C[4](C[4]C[4]HH)2(NC[6a]C)(H)	H(C[4]C[4]2N)	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	C[4](C[4]C[4]HH)2(NC[6a]C)(H){1|H<1>,1|N<4>}	H(C[4]C[4]2N)	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:1:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:O-1:O-1:	C[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(NOO)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(O)2	C[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(NOO)(H){1|H<1>,3|C<3>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(O)2	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4,5]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]CH)(NCH)(H)	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	C[4](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4,4]HH)2(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]C[4,4]HH)2(NCH)(H){2|C<4>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	109.8010	0.000	1	109.8010	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4]CF)(C[4]C[4]HH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]C[4]CF)(C[4]C[4]HH)(NCH)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	109.6610	0.000	1	109.6610	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4]CH)(C[4]C[4]HH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[4]O)(H)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(NCH)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[4]O)(H)	110.0178	0.306	5	110.0178	0.094	5	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4]CH)(C[4]C[4]HO)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]C[4]CH)(C[4]C[4]HO)(NCH)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	109.4270	0.000	1	109.4270	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4]HH)2(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[4]O)(H)	C[4](C[4]C[4]HH)2(NCH)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[4]O)(H)	110.3080	0.066	2	110.3080	0.004	2	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[4]HH)2(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]C[4]HH)2(NCH)(H){1|H<1>,1|N<3>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	109.1970	0.000	1	109.1970	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[6a]C[4]O)(C[4]C[4]CH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	C[4](C[4]C[6a]C[4]O)(C[4]C[4]CH)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	106.6690	0.000	1	108.1400	4.328	2	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[6a]C[4]O)(C[4]C[4]CH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	C[4](C[4]C[6a]C[4]O)(C[4]C[4]CH)(NCH)(H){2|C<3>,2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	109.6110	0.000	1	108.1400	4.328	2	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]C[6a]C[4]O)(C[4]C[4]HH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	C[4](C[4]C[6a]C[4]O)(C[4]C[4]HH)(NCH)(H){2|C<3>,2|C<4>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CCO)(H)	107.5200	0.000	1	107.5200	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-3:H-1:	C[4](C[4]O[4]CH)(C[4]O[4]HH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	C[4](C[4]O[4]CH)(C[4]O[4]HH)(NCH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(COO)(H)	112.4120	0.000	1	112.4120	0.000	1	109.6669	1.661	15	109.6626	1.550	16	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP2	C[4]	H	N	4:4:3:1:	4:	4:3:3:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:P-3:P-3:	C[4](C[4]C[4]HH)2(NPP)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(PC[6a]2)2	C[4](C[4]C[4]HH)2(NPP)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(PC[6a]2)2	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	110.0013	2.292	35	110.1140	2.095	40
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	3:3:3:1:	4:	4:4:4:	C[4]-3:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-4:S-4:	C[4](C[4]C[4]C)2(NCS)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[6a]HH)(SC[6a]OO)	C[4](C[4]C[4]C)2(NCS)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[6a]HH)(SC[6a]OO)	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:3:3:1:	4:	4:1:1:	C[4]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:H-1:H-1:	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(NHH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(NHH)(H){1|C<4>,2|C<3>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:3:3:1:	4:	4:3:2:	C[4]-4:N[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:C-3:O-2:	C[4](C[4]C[4]HH)(N[4]C[4]H)(NCO)(H)	H(C[4]C[4]N[4]N)	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	C[4](C[4]C[4]HH)(N[4]C[4]H)(NCO)(H){1|O<1>}	H(C[4]C[4]N[4]N)	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:3:3:1:	4:	4:4:1:	C[4,6]-4:C[4]-3:N-3:H-1:	C[4]-4:	C[4]-4:S-4:H-1:	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NHS)(H)	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	C[4](C[4,6]N[4,6]S[6]H)(C[4]N[4,6]O)(NHS)(H){1|C<3>,1|C<4>}	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:1:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:H-1:H-1:	C[4](C[4]C[4]HH)2(NHH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	C[4](C[4]C[4]HH)2(NHH)(H){1|H<1>,1|N<3>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	108.6930	0.000	1	108.6907	0.119	3	108.6907	0.119	3	108.6907	0.119	3	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:1:1:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:H-1:H-1:	C[4](C[4]C[4]HH)2(NHH)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	C[4](C[4]C[4]HH)2(NHH)(H){2|H<1>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(H)2	108.6895	0.489	2	108.6907	0.119	3	108.6907	0.119	3	108.6907	0.119	3	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:3:1:	C[4,4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:S-3:H-1:	C[4](C[4,4]C[4]3)(C[4]C[4]HH)(NHS)(H)	H(C[4]C[4,4]C[4]N)	N(C[4]C[4,4]C[4]H)(SCO)(H)	C[4](C[4,4]C[4]3)(C[4]C[4]HH)(NHS)(H){1|C<4>,6|H<1>}	H(C[4]C[4,4]C[4]N)	N(C[4]C[4,4]C[4]H)(SCO)(H)	109.0175	0.325	4	109.0175	0.106	4	109.0175	0.106	4	109.0175	0.106	4	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:4:1:	C[4,6]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:S-4:H-1:	C[4](C[4,6]C[6,6a]C[4]C[6])(C[4]C[4]HH)(NHS)(H)	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	C[4](C[4,6]C[6,6a]C[4]C[6])(C[4]C[4]HH)(NHS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[4]C[4,6]C[4]N)	N(C[4]C[4,6]C[4]H)(SC[6a]OO)(H)	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:4:4:	C[4,5]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-4:C-4:	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(NCC)(H)	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CCHH)2	C[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]CH)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[4]C[4,5]C[4]N)	N(C[4]C[4,5]C[4]H)(CCHH)2	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.9065	0.090	2	109.6389	1.195	14	109.6389	1.195	14
478	951	956	0:SP3_SP-NON_SP3	C[4]	H	N	4:4:3:1:	4:	4:4:4:	C[4]-4:C[4]-4:N-3:H-1:	C[4]-4:	C[4]-4:C-4:C-4:	C[4](C[4]C[4]HH)2(NCC)(H)	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[6a]HH)(CH3)	C[4](C[4]C[4]HH)2(NCC)(H){1|H<1>,1|S<4>}	H(C[4]C[4]2N)	N(C[4]C[4]2H)(CC[6a]HH)(CH3)	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	110.9065	0.090	2	109.6389	1.195	14	109.6389	1.195	14
478	951	959	0:SP3_SP-NON_SP3	C[4,5]	H	S[5]	3:4:4:1:	4:	4:4:1:1:	N[4,5]-3:C[4]-4:S[5]-4:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:O-1:O-1:	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]BrH)(S[5]C[5]OO)(H)	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]BrH)(S[5]C[5]OO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{1|Br<1>,2|C<3>,2|H<1>}	115.9160	0.000	1	115.9160	0.000	1	115.1557	0.844	3	115.1557	0.844	3	114.2010	4.208	4	114.2010	4.208	4
478	951	959	0:SP3_SP-NON_SP3	C[4,5]	H	S[5]	3:4:4:1:	4:	4:4:1:1:	N[4,5]-3:C[4]-4:S[5]-4:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:O-1:O-1:	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]ClH)(S[5]C[5]OO)(H)	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]ClH)(S[5]C[5]OO)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	114.1350	0.000	1	114.1350	0.000	1	115.1557	0.844	3	115.1557	0.844	3	114.2010	4.208	4	114.2010	4.208	4
478	951	959	0:SP3_SP-NON_SP3	C[4,5]	H	S[5]	3:4:4:1:	4:	4:4:1:1:	N[4,5]-3:C[4]-4:S[5]-4:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:O-1:O-1:	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(S[5]C[5]OO)(H)	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(S[5]C[5]OO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[4,5]N[4,5]C[4]S[5])	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{2|C<3>,3|H<1>}	115.4160	0.000	1	115.4160	0.000	1	115.1557	0.844	3	115.1557	0.844	3	114.2010	4.208	4	114.2010	4.208	4
478	951	959	0:SP3_SP-NON_SP3	C[4,5]	H	S[5]	4:4:4:1:	4:	4:3:1:1:	C[4,5,5]-4:C[4,5]-4:S[5]-4:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:O-1:O-1:	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]S[5]H)(S[5]C[5]OO)(H)	H(C[4,5]C[4,5,5]C[4,5]S[5])	S[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]H)(O)2	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]S[5]H)(S[5]C[5]OO)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[4,5]C[4,5,5]C[4,5]S[5])	S[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]H)(O)2{1|S<2>,2|C<4>,2|H<1>}	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	114.2010	4.208	4	114.2010	4.208	4
478	951	960	0:SP3_SP-NON_SP2	C[4,5]	H	N[5]	4:3:2:1:	4:	4:3:	C[4,5]-4:C[4]-3:N[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]N[4]S[5]H)(C[4]N[4]O)(N[5]C[5])(H)	H(C[4,5]C[4,5]C[4]N[5])	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C)	C[4,5](C[4,5]N[4]S[5]H)(C[4]N[4]O)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(C[4,5]C[4,5]C[4]N[5])	N[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]C){1|H<1>,1|N<3>,1|O<1>}	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.1103	0.771	6	114.1103	0.771	6
478	951	960	0:SP3_SP-NON_SP2	C[4,5]	H	N[5]	4:4:2:1:	4:	4:3:	C[4,5,5]-4:C[4]-4:N[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(N[5]C[5])(H)	H(C[4,5]C[4,5,5]C[4]N[5])	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5])	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[4,5]C[4,5,5]C[4]N[5])	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5]){2|C<3>,4|C<4>}	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.1138	0.963	5	114.1103	0.771	6	114.1103	0.771	6
478	951	960	0:SP3_SP-NON_SP2	C[4,5]	H	N[5]	4:4:2:1:	4:	4:3:	C[4,5]-4:C[4,5]-4:N[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H)	H(C[4,5]C[4,5]2N[5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5])	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	H(C[4,5]C[4,5]2N[5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	114.6885	1.300	2	114.6885	1.691	2	114.1847	1.607	3	114.1138	0.963	5	114.1103	0.771	6	114.1103	0.771	6
478	951	960	0:SP3_SP-NON_SP2	C[4,5]	H	N[5]	4:4:2:1:	4:	4:3:	C[4,5]-4:C[4,5]-4:N[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]S[5]H)(N[5]C[5])(H)	H(C[4,5]C[4,5]2N[5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5])	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]O[4]S[5]H)(N[5]C[5])(H){1|N<3>,1|O<1>,3|C<3>}	H(C[4,5]C[4,5]2N[5])	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5]){1|H<1>,1|O<2>,4|C<3>}	113.1770	0.000	1	113.1770	0.000	1	114.1847	1.607	3	114.1138	0.963	5	114.1103	0.771	6	114.1103	0.771	6
478	951	960	0:SP3_SP-NON_SP2	C[4,5]	H	N[5]	4:4:2:1:	4:	4:3:	C[4,6]-4:C[4,5]-4:N[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H)	H(C[4,5]C[4,5]C[4,6]N[5])	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5])	C[4,5](C[4,6]C[6,6a]C[6]O[4])(C[4,5]C[6a]O[4]O[5])(N[5]C[5])(H){1|O<1>,6|C<3>}	H(C[4,5]C[4,5]C[4,6]N[5])	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	114.1138	0.963	5	114.1103	0.771	6	114.1103	0.771	6
478	951	961	0:SP3_SP-NON_SP3	C[4,6]	H	S[6]	3:4:4:1:	4:	4:4:1:1:	N[4,6]-3:C[4]-4:S[6]-4:H-1:	C[4,6]-4:	C[4,6]-4:C[6]-4:O-1:O-1:	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(S[6]C[6]OO)(H)	H(C[4,6]N[4,6]C[4]S[6])	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(S[6]C[6]OO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[4,6]N[4,6]C[4]S[6])	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	113.5237	0.657	3	113.5237	0.432	3	113.5237	0.432	3	113.5237	0.432	3	113.5237	0.432	3	113.5237	0.432	3
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H)	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[5]C[5]H)	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H){2|C<3>,2|H<1>}	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[5]C[5]H){1|C<4>,2|H<1>}	114.2050	0.000	1	114.2050	0.000	1	114.5380	0.222	2	114.5380	0.222	2	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H)	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H){1|C<4>,4|C<3>}	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C){1|C<3>,1|C<4>}	114.8710	0.000	1	114.8710	0.000	1	114.5380	0.222	2	114.5380	0.222	2	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[4,5,6]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]O)(O[5]C[5])(H)	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O)	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,3|C<4>}	113.0350	0.000	1	113.0350	0.000	1	114.5050	4.322	2	113.1803	7.425	3	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[4,5,6]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(O[5]C[5])(H)	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O)	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O){1|O<1>,2|C<4>,2|H<1>}	115.9750	0.000	1	115.9750	0.000	1	114.5050	4.322	2	113.1803	7.425	3	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[4,5]-4:N[4,5]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(O[5]C[5])(H)	H(C[4,5]C[4,5]N[4,5]O[5])	O[5](C[4,5]C[4,5]N[4,5]H)(C[5]C[5]H)	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	H(C[4,5]C[4,5]N[4,5]O[5])	O[5](C[4,5]C[4,5]N[4,5]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>}	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	113.1803	7.425	3	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:4:2:1:	4:	4:2:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:N[5]-2:	C[4,5](C[4,5]C[5]S[4]H)(C[4]S[4]CH)(O[5]N[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(N[5]C[5])	C[4,5](C[4,5]C[5]S[4]H)(C[4]S[4]CH)(O[5]N[5])(H){1|C<3>,2|O<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,5]-4:C[4,6]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:B[5]-3:	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4,6]C[4]C[6]2)(O[5]B[5])(H)	H(C[4,5]C[4,5]C[4,6]O[5])	O[5](C[4,5]C[4,5]C[4,6]H)(B[5]C[5]O)	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4,6]C[4]C[6]2)(O[5]B[5])(H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	H(C[4,5]C[4,5]C[4,6]O[5])	O[5](C[4,5]C[4,5]C[4,6]H)(B[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	112.1103	12.155	4	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]O){1|C<4>,1|O<2>,4|H<1>}	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	112.1103	12.155	4	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP2	C[4,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[4,6]-4:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-3:	C[4,5](C[4,6]C[6,6a]C[4,6]H)(C[4,5]C[4,6]C[5]H)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4,6]O[5])	O[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)	C[4,5](C[4,6]C[6,6a]C[4,6]H)(C[4,5]C[4,6]C[5]H)(O[5]C[5])(H){1|C<2>,2|H<1>,3|C<3>}	H(C[4,5]C[4,5]C[4,6]O[5])	O[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	113.7415	1.385	2	113.7415	1.919	2	113.7415	1.919	2	112.1103	12.155	4	112.5540	8.662	10	112.5540	8.662	10
478	951	976	0:SP3_SP-NON_SP3	C[4,5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[4,5,6,6]-4:C[4,5,6,6]-4:O[5,5]-2:H-1:	C[4,5,5,6]-4:	C[4,5,5,6]-4:C[5,5,6,6]-4:	C[4,5,5,6](C[4,5,6,6]C[5,6,6]O[4,6]C[6a])(C[4,5,6,6]C[5,6,6]O[4,6]H)(O[5,5]C[5,5,6,6])(H)	H(C[4,5,5,6]C[4,5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2O)	C[4,5,5,6](C[4,5,6,6]C[5,6,6]O[4,6]C[6a])(C[4,5,6,6]C[5,6,6]O[4,6]H)(O[5,5]C[5,5,6,6])(H){1|H<1>,3|C<3>,3|O<2>}	H(C[4,5,5,6]C[4,5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2O){2|C<3>,2|H<1>,3|O<2>}	117.6090	0.000	1	117.6090	0.000	1	115.0870	12.721	2	115.0870	12.721	2	115.0870	12.721	2	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5,5,6]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[4,5,6,6]-4:C[4,5,6,6]-4:O[5,5]-2:H-1:	C[4,5,5,6]-4:	C[4,5,5,6]-4:C[5,5,6,6]-4:	C[4,5,5,6](C[4,5,6,6]C[5,6,6]O[4,6]H)2(O[5,5]C[5,5,6,6])(H)	H(C[4,5,5,6]C[4,5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2H)	C[4,5,5,6](C[4,5,6,6]C[5,6,6]O[4,6]H)2(O[5,5]C[5,5,6,6])(H){5|H<1>}	H(C[4,5,5,6]C[4,5,6,6]2O[5,5])	O[5,5](C[4,5,5,6]C[4,5,6,6]2H)(C[5,5,6,6]C[5,6,6]2H){1|O<2>,6|H<1>}	112.5650	0.000	1	112.5650	0.000	1	115.0870	12.721	2	115.0870	12.721	2	115.0870	12.721	2	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	3:4:2:1:	4:	4:4:	C[4,6a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(O[5]C[5])(H)	H(C[4,5]C[4,6a]C[4,5]O[5])	O[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>}	H(C[4,5]C[4,6a]C[4,5]O[5])	O[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:2:2:1:	4:	4:4:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[4,5]-4:	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H)	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H)	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[4,5]C[4,5]O[4]O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:3:2:1:	4:	4:3:	C[4,5]-4:N[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:N[5]-3:	C[4,5](C[4,5]C[4]C[5]H)(N[4]C[4]C)(O[5]N[5])(H)	H(C[4,5]C[4,5]N[4]O[5])	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5])	C[4,5](C[4,5]C[4]C[5]H)(N[4]C[4]C)(O[5]N[5])(H){2|C<3>,3|H<1>}	H(C[4,5]C[4,5]N[4]O[5])	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5,6]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5,6]C[4,6]C[6]O[5])(C[4]C[4,6]C)(O[5]C[5])(H)	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]CC)	C[4,5](C[4,5,6]C[4,6]C[6]O[5])(C[4]C[4,6]C)(O[5]C[5])(H){2|H<1>,4|C<4>}	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]CC){1|C<4>,2|C<3>}	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.6461	0.165	7	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]C)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]C)(O[5]C[5])(H){3|C<4>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){1|C<4>,2|C<3>}	114.2990	0.000	1	114.2990	0.000	1	114.6735	0.192	6	114.6461	0.165	7	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[5]N[4]H)(C[4]N[4]O)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)	C[4,5](C[4,5]C[5]N[4]H)(C[4]N[4]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.2610	0.000	1	114.7484	0.198	5	114.6735	0.192	6	114.6461	0.165	7	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:3:2:1:	4:	4:4:	C[4,5]-4:C[4]-3:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[5]N[4]H)(C[4]N[4]O)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)	C[4,5](C[4,5]C[5]N[4]H)(C[4]N[4]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.8702	0.405	4	114.7484	0.198	5	114.6735	0.192	6	114.6461	0.165	7	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,4,5]-4:C[4,6]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[4,5]-4:	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]C)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H)	H(C[4,5]C[4,4,5]C[4,6]O[5])	O[5](C[4,5]C[4,4,5]C[4,6]H)2	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]C)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[4,5]C[4,4,5]C[4,6]O[5])	O[5](C[4,5]C[4,4,5]C[4,6]H)2{2|C<3>,3|C<4>,3|H<1>}	116.5670	0.000	1	116.5670	0.000	1	111.5320	50.702	2	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,4,5]-4:C[4,6]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[4,5]-4:	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]H)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H)	H(C[4,5]C[4,4,5]C[4,6]O[5])	O[5](C[4,5]C[4,4,5]C[4,6]H)2	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]H)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[4,5]C[4,4,5]C[4,6]O[5])	O[5](C[4,5]C[4,4,5]C[4,6]H)2{2|C<3>,3|C<4>,3|H<1>}	106.4970	0.000	1	106.4970	0.000	1	111.5320	50.702	2	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5,6]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5,6]-4:	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(O[5]C[5,6])(H)	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C)	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(O[5]C[5,6])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[4,5]C[4,5,6]C[4]O[5])	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C){1|O<1>,3|C<4>,4|H<1>}	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[4,5]-4:	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[4,5]O[4]H)(O[5]C[4,5])(H)	H(C[4,5]C[4,5]2O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[4,5]O[4]H)(O[5]C[4,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[4,5]C[4,5]2O[5])	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5,5]-4:	C[4,5](C[4,5]C[5,5]N[4]H)(C[4]N[4]HH)(O[5]C[5,5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5,5]O[5]H)	C[4,5](C[4,5]C[5,5]N[4]H)(C[4]N[4]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5,5]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(O[5]C[5])(H){1|C<4>,5|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){2|C<4>,4|H<1>}	113.1540	0.000	1	109.8530	21.793	2	111.8726	21.316	5	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(O[5]C[5])(H){6|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	106.5520	0.000	1	109.8530	21.793	2	111.8726	21.316	5	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CN)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CN)(O[5]C[5])(H){6|H<1>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.9070	0.000	1	107.9070	0.000	1	111.8726	21.316	5	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CH)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<4>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){2|C<4>,2|H<1>}	117.8180	0.000	1	117.8180	0.000	1	111.8726	21.316	5	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	976	0:SP3_SP-NON_SP3	C[4,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[4,5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HN)(O[5]C[5])(H)	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HN)(O[5]C[5])(H){1|H<1>,3|C<4>}	H(C[4,5]C[4,5]C[4]O[5])	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){1|C<4>,1|N<3>,2|H<1>}	113.9320	0.000	1	113.9320	0.000	1	111.8726	21.316	5	111.8252	17.941	10	113.1118	10.371	20	113.2914	10.327	22
478	951	980	0:SP3_SP-NON_SP3	C[3x4]	H	N[4,4,6]	6:4:2:1:	4:	4:3:4:4:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3x4]-4:	C[3x4]-4:C[3x4]-3:C[6]-4:C[6]-4:	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	H(C[3x4]C[3,3,4,4]N[4,4,6]H[4,4])	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	H(C[3x4]C[3,3,4,4]N[4,4,6]H[4,4])	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2{1|C<4>,1|H<2>,1|O<2>,2|O<3>,4|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4,6]	H	N[4,6]	4:4:4:1:	4:	4:4:4:4:	C[4,6]-4:N[4,6]-4:C[6]-4:H-1:	C[4,6]-4:	C[4,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H)	H(C[4,6]C[4,6]N[4,6]C[6])	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[4,6]C[4,6]N[4,6]C[6])	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{3|C<4>,4|C<3>,7|H<1>}	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4,6]	H	N[4]	4:4:4:1:	4:	4:4:4:1:	C[4,6]-4:C[6]-4:N[4]-4:H-1:	C[4,6]-4:	C[4,6]-4:C[4]-4:C-4:H-1:	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H)	H(C[4,6]C[4,6]C[6]N[4])	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[4,6]C[4,6]C[6]N[4])	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4,5]	4:4:1:1:	4:	4:4:4:4:	N[4,5]-4:C[4]-4:H-1:H-1:	C[4]-4:	B[5,5a]-4:C[5]-4:C[4]-4:C[4]-4:	C[4](N[4,5]B[5,5a]C[4]C[5])(C[4]C[4]CC)(H)2	H(C[4]N[4,5]C[4]H)	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2	C[4](N[4,5]B[5,5a]C[4]C[5])(C[4]C[4]CC)(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[4]N[4,5]C[4]H)	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2{2|C<4>,4|C<3>}	113.3960	0.071	7	113.3960	0.005	7	113.3960	0.005	7	113.3960	0.005	7	113.3960	0.005	7	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4,6]	4:3:4:1:	4:	4:4:4:4:	N[4,6]-4:C[6a]-3:C[4]-4:H-1:	C[4]-4:	B[4]-4:C[4]-4:C[6]-4:C[6]-4:	C[4](N[4,6]B[4]C[6]2)(C[6a]C[6a]2)(C[4]B[4]CC)(H)	H(C[4]N[4,6]C[6a]C[4])	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2	C[4](N[4,6]B[4]C[6]2)(C[6a]C[6a]2)(C[4]B[4]CC)(H){2|C<4>,4|C<3>,6|H<1>}	H(C[4]N[4,6]C[6a]C[4])	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2{3|C<4>,4|H<1>,6|C<3>}	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	3:4:4:1:	4:	4:4:4:4:	C[6a]-3:C[4]-4:N[4]-4:H-1:	C[4]-4:	B[4]-4:C[4]-4:C-4:C-4:	C[4](C[6a]C[6a]2)(C[4]B[4]HH)(N[4]B[4]CC)(H)	H(C[4]C[6a]C[4]N[4])	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2	C[4](C[6a]C[6a]2)(C[4]B[4]HH)(N[4]B[4]CC)(H){2|H<1>,4|C<3>}	H(C[4]C[6a]C[4]N[4])	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2{2|H<1>,6|C<3>}	106.0177	2.539	3	106.0177	6.446	3	106.0177	6.446	3	106.6135	5.717	4	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	3:4:4:1:	4:	4:4:4:4:	C[6a]-3:C[4]-4:N[4]-4:H-1:	C[4]-4:	C[4]-4:C[4]-4:B-4:C-4:	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H)	H(C[4]C[6a]C[4]N[4])	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3)	C[4](C[6a]C[6a]2)(C[4]C[4]HH)(N[4]C[4]BC)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[4]C[6a]C[4]N[4])	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3){2|C<3>,2|H<1>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	106.6135	5.717	4	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:3:4:1:	4:	4:4:1:1:	C[4]-4:C[6a]-3:N[4]-4:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]HH)(H)	H(C[4]C[6a]C[4]N[4])	N[4](C[4]C[6a]C[4]H)2(H)2	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(N[4]C[4]HH)(H){3|H<1>,5|C<3>}	H(C[4]C[6a]C[4]N[4])	N[4](C[4]C[6a]C[4]H)2(H)2{1|H<1>,5|C<3>}	104.8335	1.310	2	104.8335	1.717	2	104.8335	1.717	2	104.8335	1.717	2	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]2H)(N[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2	C[4](C[4]C[4]2H)(N[4]C[4]HH)(H)2{2|C<4>,3|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2{1|C<4>,1|H<1>}	113.6224	0.121	14	113.6224	0.015	14	113.6866	0.018	32	113.6866	0.018	32	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]FF)(N[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2	C[4](C[4]C[4]FF)(N[4]C[4]HH)(H)2{2|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2{2|F<1>}	113.8409	0.034	7	113.8409	0.001	7	113.6866	0.018	32	113.6866	0.018	32	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]FH)(N[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2	C[4](C[4]C[4]FH)(N[4]C[4]HH)(H)2{2|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2{1|F<1>,1|H<1>}	113.6067	0.017	3	113.6067	0.000	3	113.6866	0.018	32	113.6866	0.018	32	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(H)2	C[4](C[4]C[4]HH)(N[4]C[4]HH)(H)2{1|C<4>,1|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(H)2{2|H<1>}	113.5220	0.013	2	113.5220	0.000	2	113.6866	0.018	32	113.6866	0.018	32	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]NN)(N[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2	C[4](C[4]C[4]NN)(N[4]C[4]HH)(H)2{2|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]HH)2(H)2{2|N<3>}	113.7512	0.077	6	113.7512	0.006	6	113.6866	0.018	32	113.6866	0.018	32	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]CH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H)	C[4](C[4]C[4]HH)(N[4]C[4]CH)(H)2{1|C<4>,1|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H){2|H<1>}	113.6070	0.066	2	113.6070	0.004	2	113.9057	0.145	4	113.9057	0.145	4	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]CH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H)	C[4](C[4]C[4]HH)(N[4]C[4]CH)(H)2{1|C<4>,1|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H){2|H<1>}	114.2045	0.271	2	114.2045	0.073	2	113.9057	0.145	4	113.9057	0.145	4	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:4:4:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:B-4:C-4:	C[4](C[4]C[4]HH)(N[4]C[4]BC)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3)	C[4](C[4]C[4]HH)(N[4]C[4]BC)(H)2{1|C<3>,1|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3){2|C<3>,2|H<1>}	113.4920	0.011	2	113.4920	0.000	2	113.4920	0.000	2	113.4916	0.003	7	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:4:4:	C[4]-4:N[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:C-4:	C[4](C[4]C[4]HH)(N[4]C[4]CC)(H)2	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3)	C[4](C[4]C[4]HH)(N[4]C[4]CC)(H)2{1|C<3>,1|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	113.5320	0.021	2	113.5320	0.000	2	113.5320	0.000	2	113.4916	0.003	7	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C[4]-4:H-1:H-1:	C[4]-4:	C[5]-4:C[4]-4:C[4]-4:C-4:	C[4](N[4]C[4]C[5]C)(C[4]C[4]HH)(H)2	H(C[4]C[4]N[4]H)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3)	C[4](N[4]C[4]C[5]C)(C[4]C[4]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[4]C[4]N[4]H)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	113.4643	0.086	3	113.4643	0.007	3	113.4643	0.007	3	113.4916	0.003	7	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:3:1:	4:	4:4:4:1:	C[4,6]-4:N[4]-4:C-3:H-1:	C[4]-4:	C[4,6]-4:C[4]-4:C-4:H-1:	C[4](C[4,6]C[4,6]C[6]H)(N[4]C[4,6]CH)(CCH)(H)	H(C[4]C[4,6]N[4]C)	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H)	C[4](C[4,6]C[4,6]C[6]H)(N[4]C[4,6]CH)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[4]C[4,6]N[4]C)	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:3:1:	4:	4:4:4:4:	C[4]-4:N[4]-4:C-3:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:C-4:	C[4](C[4]C[4]HH)(N[4]C[4]CC)(COO)(H)	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3)	C[4](C[4]C[4]HH)(N[4]C[4]CC)(COO)(H){2|H<1>}	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.1587	1.795	3	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:3:1:	4:	4:4:4:4:	N[4]-4:C[4]-4:C-3:H-1:	C[4]-4:	C[5]-4:C[4]-4:C[4]-4:C-4:	C[4](N[4]C[4]C[5]C)(C[4]C[4]HH)(COO)(H)	H(C[4]C[4]N[4]C)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3)	C[4](N[4]C[4]C[5]C)(C[4]C[4]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[4]C[4]N[4]C)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	109.8630	1.751	2	109.8630	3.065	2	109.8630	3.065	2	110.1587	1.795	3	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:4:1:	4:	4:4:1:1:	C[4]-4:N[4]-4:C-4:H-1:	C[4]-4:	C[4]-4:C[4]-4:H-1:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]HH)(CH3)(H)	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(H)2	C[4](C[4]C[4]HH)(N[4]C[4]HH)(CH3)(H){2|H<1>}	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(H)2{2|H<1>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:4:1:	4:	4:4:4:1:	C[4]-4:N[4]-4:C-4:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]CH)(CC[6a]2O)(H)	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H)	C[4](C[4]C[4]HH)(N[4]C[4]CH)(CC[6a]2O)(H){2|H<1>}	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H){2|H<1>}	112.6480	0.000	1	112.6480	0.000	1	111.2145	4.110	2	111.2145	4.110	2	112.4791	6.706	56	112.4048	6.649	67
478	951	980	0:SP3_SP-NON_SP3	C[4]	H	N[4]	4:4:4:1:	4:	4:4:4:1:	C[4]-4:N[4]-4:C-4:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:H-1:	C[4](C[4]C[4]HH)(N[4]C[4]CH)(CH3)(H)	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H)	C[4](C[4]C[4]HH)(N[4]C[4]CH)(CH3)(H){2|H<1>}	H(C[4]C[4]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H){2|H<1>}	109.7810	0.000	1	109.7810	0.000	1	111.2145	4.110	2	111.2145	4.110	2	112.4791	6.706	56	112.4048	6.649	67
478	951	983	0:SP3_SP-NON_SP1	C[4,5]	H	C	4:4:2:1:	4:	4:1:	C[4,5,5,6]-4:C[4,5,5]-4:C-2:H-1:	C[4,5]-4:	C[4,5]-4:N-1:	C[4,5](C[4,5,5,6]C[4,5,6]C[5,5]C[6])(C[4,5,5]C[4,5,6]C[5,5]H)(CN)(H)	H(C[4,5]C[4,5,5,6]C[4,5,5]C)	C(C[4,5]C[4,5,5,6]C[4,5,5]H)(N)	C[4,5](C[4,5,5,6]C[4,5,6]C[5,5]C[6])(C[4,5,5]C[4,5,6]C[5,5]H)(CN)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[4,5]C[4,5,5,6]C[4,5,5]C)	C(C[4,5]C[4,5,5,6]C[4,5,5]H)(N)	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	3:4:2:1:	4:	4:1:	N[4]-3:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:N-1:	C[4](N[4]C[6a]C[4])(C[4]C[4]HH)(CN)(H)	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	C[4](N[4]C[6a]C[4])(C[4]C[4]HH)(CN)(H){1|H<1>,3|C<3>}	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:3:2:1:	4:	4:1:	C[4]-4:N[4]-3:C-2:H-1:	C[4]-4:	C[4]-4:N-1:	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(CN)(H)	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	C[4](C[4]C[6a]C[4]H)(N[4]C[4]C)(CN)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	112.1522	1.551	4	112.1522	2.405	4	112.1316	1.806	5	112.1316	1.806	5	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:3:2:1:	4:	4:1:	C[4]-4:N[4]-3:C-2:H-1:	C[4]-4:	C[4]-4:N-1:	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(CN)(H)	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	C[4](C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(CN)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[4]C[4]N[4]C)	C(C[4]C[4]N[4]H)(N)	112.0490	0.000	1	112.0490	0.000	1	112.1316	1.806	5	112.1316	1.806	5	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:4:2:1:	4:	4:1:	C[4,6]-4:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:N-1:	C[4](C[4,6]C[4,5,6]C[6,6a]H)(C[4]C[4,5,6]HH)(CN)(H)	H(C[4]C[4,6]C[4]C)	C(C[4]C[4,6]C[4]H)(N)	C[4](C[4,6]C[4,5,6]C[6,6a]H)(C[4]C[4,5,6]HH)(CN)(H){1|N<3>,1|O<2>,2|C<3>}	H(C[4]C[4,6]C[4]C)	C(C[4]C[4,6]C[4]H)(N)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:4:2:1:	4:	4:2:	C[4]-4:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:C-2:	C[4](C[4]C[4]CC)(C[4]C[4]HH)(CC)(H)	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CH)	C[4](C[4]C[4]CC)(C[4]C[4]HH)(CC)(H){1|C<3>,1|H<1>}	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CH)	109.1260	0.000	1	109.1260	0.000	1	110.4611	5.143	9	110.4611	5.143	9	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:4:2:1:	4:	4:2:	C[4]-4:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:C-2:	C[4](C[4]C[4]CH)2(CC)(H)	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CC[6a])	C[4](C[4]C[4]CH)2(CC)(H){1|C<3>,1|H<1>}	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CC[6a])	110.6105	2.058	2	110.6105	4.237	2	110.4611	5.143	9	110.4611	5.143	9	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:4:2:1:	4:	4:2:	C[4]-4:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:C-2:	C[4](C[4]C[4]HH)2(CC)(H)	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CC[4])	C[4](C[4]C[4]HH)2(CC)(H){1|C<3>,1|H<1>}	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CC[4])	114.0180	0.260	2	114.0180	0.068	2	110.4611	5.143	9	110.4611	5.143	9	110.8876	4.887	16	110.9289	4.610	17
478	951	983	0:SP3_SP-NON_SP1	C[4]	H	C	4:4:2:1:	4:	4:2:	C[4]-4:C[4]-4:C-2:H-1:	C[4]-4:	C[4]-4:C-2:	C[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC)(H)	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CH)	C[4](C[4]C[6a]C[4]C)(C[4]C[4]HH)(CC)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[4]C[4]2C)	C(C[4]C[4]2H)(CH)	108.9417	0.399	4	108.9417	0.160	4	110.4611	5.143	9	110.4611	5.143	9	110.8876	4.887	16	110.9289	4.610	17
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	3:4:4:1:	4:	4:4:4:4:	C[4,6]-3:B[4]-4:P-4:H-1:	C[4]-4:	C[4]-4:B-4:C-4:C-4:	C[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Cl2)(PBCC)(H)	H(C[4]C[4,6]B[4]P)	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	C[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Cl2)(PBCC)(H){1|H<1>,2|C<3>}	H(C[4]C[4,6]B[4]P)	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	100.0740	0.000	1	100.0740	0.000	1	100.0740	0.000	1	102.7140	13.939	2	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	3:4:4:1:	4:	4:4:4:4:	C[4,6]-3:B[4]-4:P-4:H-1:	C[4]-4:	C[4]-4:Ga-4:C-4:C-4:	C[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Cl2)(PGaCC)(H)	H(C[4]C[4,6]B[4]P)	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	C[4](C[4,6]N[4,6]C[6])(B[4]N[4,6]Cl2)(PGaCC)(H){1|H<1>,2|C<3>}	H(C[4]C[4,6]B[4]P)	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	105.3540	0.000	1	105.3540	0.000	1	105.3540	0.000	1	102.7140	13.939	2	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:3:4:1:	4:	3:3:4:1:	C[4]-4:C[4]-3:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:O-1:	C[4](C[4]C[4]HP)(C[4]C[4]P)(PC[6a]2O)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	C[4](C[4]C[4]HP)(C[4]C[4]P)(PC[6a]2O)(H){1|H<1>,1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:1:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:O-1:	C[4](C[4]C[4]HP)2(PC[6a]2O)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	C[4](C[4]C[4]HP)2(PC[6a]2O)(H){1|H<1>,1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	108.5009	3.244	8	109.1792	13.348	9	109.1792	13.348	9	108.5267	14.948	11	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:1:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:O-1:	C[4](C[4]C[4]HP)2(PC[6a]2O)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	C[4](C[4]C[4]HP)2(PC[6a]2O)(H){1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(O)	114.6060	0.000	1	109.1792	13.348	9	109.1792	13.348	9	108.5267	14.948	11	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:1:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:S-1:	C[4](C[4]C[4]HP)2(PC[6a]2S)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(S)	C[4](C[4]C[4]HP)2(PC[6a]2S)(H){1|H<1>,1|P<3>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(S)	105.5905	4.649	2	105.5905	21.615	2	105.5905	21.615	2	108.5267	14.948	11	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:2:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:O-2:	C[4](C[4]C[4]HP)2(PC[6a]2O)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(OCo)	C[4](C[4]C[4]HP)2(PC[6a]2O)(H){1|H<1>,1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(OCo)	108.9034	2.213	8	108.9034	4.898	8	108.9034	4.898	8	109.5076	4.517	14	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:2:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:S-2:	C[4](C[4]C[4]HP)2(PC[6a]2S)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(SPd)	C[4](C[4]C[4]HP)2(PC[6a]2S)(H){1|H<1>,1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(SPd)	110.3780	2.208	4	110.3780	4.875	4	110.3780	4.875	4	109.5076	4.517	14	108.4713	11.722	28	108.4713	11.722	28
478	951	992	0:SP3_SP-NON_SP3	C[4]	H	P	4:4:4:1:	4:	3:3:4:2:	C[4]-4:C[4]-4:P-4:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:Se-2:	C[4](C[4]C[4]HP)2(PC[6a]2Se)(H)	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(SePd)	C[4](C[4]C[4]HP)2(PC[6a]2Se)(H){1|H<1>,1|P<4>}	H(C[4]C[4]2P)	P(C[6a]C[6a]2)2(C[4]C[4]2H)(SePd)	110.1835	1.718	2	110.1835	2.950	2	110.1835	2.950	2	109.5076	4.517	14	108.4713	11.722	28	108.4713	11.722	28
478	951	996	0:SP3_SP-NON_SP3	C[4,6]	H	Si[4]	3:4:4:1:	4:	4:4:3:1:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	C[4,6]-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	H(C[4,6]C[6,6a]C[4,6]Si[4])	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[4,6]C[6,6a]C[4,6]Si[4])	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	99.6897	0.000	1	99.6897	0.000	1	99.6897	0.000	1	99.6897	0.000	1	104.3474	43.387	2	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4,6]	H	Si[4]	4:4:3:1:	4:	4:4:3:1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	C[4,6]-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H)	H(C[4,6]C[4,6]Si[4]C[6])	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[4,6]C[4,6]Si[4]C[6])	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	104.3474	43.387	2	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4,6]	4:4:1:1:	4:	3:3:4:4:	Si[4,6]-4:C[4]-4:H-1:H-1:	C[4]-4:	N[5a,6]-3:N[5a,6]-3:C[4]-4:C[4]-4:	C[4](Si[4,6]N[5a,6]2C[4])(C[4]C[4]HH)(H)2	H(C[4]Si[4,6]C[4]H)	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2	C[4](Si[4,6]N[5a,6]2C[4])(C[4]C[4]HH)(H)2{2|H<1>,4|C<3>}	H(C[4]Si[4,6]C[4]H)	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2{2|C<4>,2|H<1>,5|C<3>}	113.9344	0.125	17	113.9344	0.016	17	113.9344	0.016	17	113.9344	0.016	17	113.9344	0.016	17	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	3:4:1:1:	4:	3:4:4:4:	C[4,6]-3:Si[4]-4:H-1:H-1:	C[4]-4:	N[4,6]-3:C[4]-4:C-4:C-4:	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2	H(C[4]C[4,6]Si[4]H)	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3)	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2{1|H<1>,2|C<3>}	H(C[4]C[4,6]Si[4]H)	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3){1|C<4>,2|C<3>}	113.9915	0.005	2	113.9915	0.000	2	113.9915	0.000	2	113.9915	0.000	2	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:2:1:1:	4:	4:4:4:4:	Si[4]-4:Se[4]-2:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:Si-4:Si-4:	C[4](Si[4]C[4]Si2)(Se[4]C[4])(H)2	H(C[4]Se[4]Si[4]H)	Si[4](C[4]Se[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Se[4]C[4])(H)2{2|H<1>}	H(C[4]Se[4]Si[4]H)	Si[4](C[4]Se[4]HH)2(SiC3)2	117.6545	1.749	2	117.6545	3.058	2	117.6545	3.058	2	117.6545	3.058	2	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:3:3:1:	4:	4:3:2:4:	Si[4]-4:C[6a]-3:C[4]-3:H-1:	C[4]-4:	C[4]-4:C[4]-3:N-2:Si-4:	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H)	H(C[4]C[6a]Si[4]C[4])	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	H(C[4]C[6a]Si[4]C[4])	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	3:3:4:4:	Si[4]-4:C[4]-4:H-1:H-1:	C[4]-4:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	C[4](Si[4]C[6a]2C[4])(C[4]C[4]HH)(H)2	H(C[4]Si[4]C[4]H)	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[4](Si[4]C[6a]2C[4])(C[4]C[4]HH)(H)2{2|H<1>,4|C<3>}	H(C[4]Si[4]C[4]H)	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|C<3>,6|H<1>}	114.2305	0.040	4	114.2305	0.002	4	114.2305	0.002	4	114.2305	0.002	4	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:3:4:4:	Si[4]-4:Si[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:N[4]-3:C-4:C-4:	C[4](Si[4]N[4]Fe2)(Si[4]N[4]CC)(H)2	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2	C[4](Si[4]N[4]Fe2)(Si[4]N[4]CC)(H)2{1|Si<4>}	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2{2|Fe<8>}	114.2415	0.005	2	114.2415	0.000	2	114.2415	0.000	2	114.2415	0.000	2	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:4:1:1:	Si[4]-4:C[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:Cl-1:Cl-1:	C[4](Si[4]C[4]Cl2)(C[4]C[4]HH)(H)2	H(C[4]Si[4]C[4]H)	Si[4](C[4]C[4]HH)2(Cl)2	C[4](Si[4]C[4]Cl2)(C[4]C[4]HH)(H)2{2|H<1>}	H(C[4]Si[4]C[4]H)	Si[4](C[4]C[4]HH)2(Cl)2{2|H<1>}	114.3237	0.027	3	114.3237	0.001	3	114.3237	0.001	3	114.3237	0.001	3	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:4:4:1:	Si[4]-4:C[4]-4:H-1:H-1:	C[4]-4:	Si[4]-4:C[4]-4:Si-4:H-1:	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2	H(C[4]Si[4]C[4]H)	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2{2|C<4>}	H(C[4]Si[4]C[4]H)	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	111.8060	0.011	2	111.8060	0.000	2	111.8060	0.000	2	111.8060	0.000	2	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:4:4:4:	Si[4]-4:C[4]-4:H-1:H-1:	C[4]-4:	C[5]-4:C[5]-4:C[4]-4:C[4]-4:	C[4](Si[4]C[4]C[5]2)(C[4]C[4]HH)(H)2	H(C[4]Si[4]C[4]H)	Si[4](C[5]C[5,6a]2H)2(C[4]C[4]HH)2	C[4](Si[4]C[4]C[5]2)(C[4]C[4]HH)(H)2{4|C<3>,4|H<1>}	H(C[4]Si[4]C[4]H)	Si[4](C[5]C[5,6a]2H)2(C[4]C[4]HH)2{2|H<1>,8|C<3>}	114.0743	0.012	3	114.0743	0.000	3	114.0743	0.000	3	113.9386	0.006	16	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:4:4:4:	Si[4]-4:Si[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:C-4:C-4:	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)2(CSiHH)2	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2{2|H<1>}	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)2(CSiHH)2{2|Si<4>}	113.9120	0.026	6	113.9120	0.001	6	113.9120	0.001	6	113.9386	0.006	16	113.9127	2.911	32	113.5448	6.200	51
478	951	996	0:SP3_SP-NON_SP3	C[4]	H	Si[4]	4:4:1:1:	4:	4:4:4:4:	Si[4]-4:Si[4]-4:H-1:H-1:	C[4]-4:	C[4]-4:C[4]-4:Si-4:Si-4:	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2{2|H<1>}	H(C[4]Si[4]2H)	Si[4](C[4]Si[4]HH)2(SiC3)2{2|C<4>}	113.9033	0.046	7	113.9033	0.002	7	113.9033	0.002	7	113.9386	0.006	16	113.9127	2.911	32	113.5448	6.200	51
478	952	952	0:SP3_SP3_SP3	C[4]	S	S	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[4]-3:C[4]-4:S-4:S-4:	C[4]-4:C-4:O-1:O-1:	C[4]-4:C-4:O-1:O-1:	C[4](N[4]C[6a]C[4])(C[4]C[4]HO)(SCOO)2	S(C[4]C[4]N[4]S)(CH3)(O)2	S(C[4]C[4]N[4]S)(CH3)(O)2	C[4](N[4]C[6a]C[4])(C[4]C[4]HO)(SCOO)2{1|O<1>,2|C<3>}	S(C[4]C[4]N[4]S)(CH3)(O)2	S(C[4]C[4]N[4]S)(CH3)(O)2	113.5720	0.346	2	113.5720	0.120	2	113.5720	0.120	2	113.5720	0.120	2	113.5720	0.120	2	113.5720	0.120	2
478	952	976	0:SP3_SP3_SP3	C[4,5]	S	O[5]	4:4:4:2:	4:3:1:1:	4:4:	C[4,5]-4:C[4]-4:S-4:O[5]-2:	C[4,5]-4:C[6a]-3:O-1:O-1:	C[4,5]-4:C[5]-4:	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(SC[6a]OO)(O[5]C[5])	S(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(O)2	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(SC[6a]OO)(O[5]C[5]){1|C<4>,5|H<1>}	S(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(O)2	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH){1|C<4>,5|H<1>}	107.9930	0.946	2	107.9930	0.895	2	107.9930	0.895	2	107.9930	0.895	2	107.9930	0.895	2	107.9930	0.895	2
478	956	956	0:SP3_SP2_SP2	C[4,4]	N	N	3:3:3:3:	4:3:3:	4:3:3:	P[3,4,4]-3:P[3,4,4]-3:N-3:N-3:	C[4,4]-4:C[6a]-3:C-3:	C[4,4]-4:C[6a]-3:C-3:	C[4,4](P[3,4,4]P[3,3,4]2)2(NC[6a]C)2	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C[4,4](P[3,4,4]P[3,3,4]2)2(NC[6a]C)2	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	106.7268	4.253	6
478	956	956	0:SP3_SP2_SP2	C[4]	N	N	4:4:3:3:	4:1:1:	4:1:1:	C[4]-4:C[4]-4:N-3:N-3:	C[4]-4:O-1:O-1:	C[4]-4:O-1:O-1:	C[4](C[4]N[4]HH)2(NOO)2	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	C[4](C[4]N[4]HH)2(NOO)2{1|C<3>}	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	105.9295	0.076	2	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	106.7268	4.253	6
478	956	956	0:SP3_SP2_SP2	C[4]	N	N	4:4:3:3:	4:1:1:	4:1:1:	C[4]-4:C[4]-4:N-3:N-3:	C[4]-4:O-1:O-1:	C[4]-4:O-1:O-1:	C[4](C[4]N[4]HH)2(NOO)2	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	C[4](C[4]N[4]HH)2(NOO)2{1|C<4>}	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	105.9580	0.000	1	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	106.7268	4.253	6
478	956	956	0:SP3_SP2_SP2	C[4]	N	N	4:4:3:3:	4:1:1:	4:1:1:	C[4]-4:C[4]-4:N-3:N-3:	C[4]-4:O-1:O-1:	C[4]-4:O-1:O-1:	C[4](C[4]N[4]HH)2(NOO)2	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	C[4](C[4]N[4]HH)2(NOO)2{2|H<1>}	N(C[4]C[4]2N)(O)2	N(C[4]C[4]2N)(O)2	105.8065	0.165	2	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	105.8860	0.014	5	106.7268	4.253	6
478	960	992	0:SP3_SP2_SP3	C[4,5]	N[5]	P	3:4:4:2:	4:2:	4:3:3:2:	Ge[4,5]-3:P[4]-4:P-4:N[5]-2:	C[4,5]-4:N[5]-2:	C[4,5]-4:C[6a]-3:C[6a]-3:N-2:	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5])	N[5](C[4,5]Ge[4,5]P[4]P)(N[5]N[5])	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5]){2|Si<4>,4|C<3>}	N[5](C[4,5]Ge[4,5]P[4]P)(N[5]N[5]){1|Si<4>,1|N<3>,2|C<3>}	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1
478	976	976	5:SP3_SP3_SP3	C[4,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[4,6a]-3:C[4]-4:O[5]-2:O[5]-2:	C[4,5]-4:C[5]-4:	C[4,5]-4:C[5]-4:	C[4,5](C[4,6a]C[4,6a]2)(C[4]C[4,6a]HH)(O[5]C[5])2	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH)	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH)	C[4,5](C[4,6a]C[4,6a]2)(C[4]C[4,6a]HH)(O[5]C[5])2{3|C<3>,4|H<1>}	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	O[5](C[4,5]C[4,6a]C[4]O[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1
478	983	983	0:SP3_SP1_SP1	C[4]	C	C	4:3:2:2:	4:1:	4:1:	C[4]-4:C[4]-3:C-2:C-2:	C[4]-4:N-1:	C[4]-4:N-1:	C[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CN)2	C(C[4]C[4]2C)(N)	C(C[4]C[4]2C)(N)	C[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CN)2{5|C<3>}	C(C[4]C[4]2C)(N)	C(C[4]C[4]2C)(N)	107.8610	0.222	2	107.8610	0.049	2	107.8610	0.049	2	107.8610	0.049	2	108.2562	0.255	4	108.2562	0.255	4
478	983	983	0:SP3_SP1_SP1	C[4]	C	C	4:4:2:2:	4:1:	4:1:	C[4,6]-4:C[4]-4:C-2:C-2:	C[4]-4:N-1:	C[4]-4:N-1:	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(CN)2	C(C[4]C[4,6]C[4]C)(N)	C(C[4]C[4,6]C[4]C)(N)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(CN)2{1|C<3>,1|C<4>,3|H<1>}	C(C[4]C[4,6]C[4]C)(N)	C(C[4]C[4,6]C[4]C)(N)	108.6515	0.301	2	108.6515	0.090	2	108.6515	0.090	2	108.6515	0.090	2	108.2562	0.255	4	108.2562	0.255	4
478	983	999	0:SP3_SP1_SP3	C[4,5,5]	C	N[5,5]	4:4:4:2:	4:2:	4:4:1:1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-2:	C[4,5,5]-4:C-2:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC)	C(C[4,5,5]C[4,5]2N[5,5])(CH)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC){3|H<1>}	C(C[4,5,5]C[4,5]2N[5,5])(CH)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1
478	996	996	4:SP3_SP3_SP3	C[4]	Si[4]	Si[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:H-1:H-1:	C[4]-4:C[4]-4:C-4:C-4:	C[4]-4:C[4]-4:Si-4:Si-4:	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2	Si[4](C[4]Si[4]HH)2(CSiHH)2	Si[4](C[4]Si[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2{2|H<1>}	Si[4](C[4]Si[4]HH)2(CSiHH)2{2|Si<4>}	Si[4](C[4]Si[4]HH)2(SiC3)2{2|C<4>}	88.5083	0.061	4	88.5083	0.004	4	88.5083	0.004	4	88.5083	0.004	4	88.5083	0.004	4	88.5083	0.004	4
486	2	138	0:SP3_SP2_SP3	C[3]	B[5]	N[3]	4:3:3:4:	4:2:2:	4:4:3:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:N[5]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	B[5](C[3]C[3]N[3]C)(O[5]C[5])2	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	B[5](C[3]C[3]N[3]C)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3,6]	4:4:3:1:	4:2:2:	3:4:4:1:	C[3,6]-4:C[3,6]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H)	B[5](C[3]C[3,6]2H)(O[5]C[5])2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	B[5](C[3]C[3,6]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]B[5]H)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	122.9745	10.157	2	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3,6]	4:4:3:1:	4:2:2:	4:4:3:1:	C[3,6]-4:C[3,6]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H)	B[5](C[3]C[3,6]2H)(O[5]C[5])2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	B[5](C[3]C[3,6]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	122.9745	10.157	2	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:3:3:4:	4:2:2:	4:3:3:1:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	B[5](C[3]C[3]N[3]C)(O[5]C[5])2	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	B[5](C[3]C[3]N[3]C)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:3:4:3:	4:2:2:	4:3:4:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[3](C[3]C[6a]B[5]C[3])(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|H<1>,2|O<2>,4|C<3>}	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:3:4:3:	4:2:2:	4:4:1:1:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]SeC)(H)2	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{1|Se<2>,2|C<3>,2|H<1>,5|C<4>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]SeC)(H)2{2|C<3>,2|O<2>}	118.5840	0.000	1	118.5840	0.000	1	118.1245	0.422	2	118.1245	0.422	2	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:3:4:3:	4:2:2:	4:4:1:1:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[6a]C[3]C)(H)2{2|O<2>,4|C<3>}	117.6650	0.000	1	117.6650	0.000	1	118.1245	0.422	2	118.1245	0.422	2	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:3:4:3:	4:2:2:	4:4:2:4:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:Se-2:C-4:	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH)	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{1|Se<2>,2|C<3>,2|H<1>,5|C<4>}	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH){2|C<3>,2|O<2>}	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:1:	4:2:2:	4:3:4:1:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{1|C<3>,2|H<1>,5|C<4>}	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CH)(H){2|C<3>,2|H<1>,2|O<2>}	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:1:	4:2:2:	4:3:4:3:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[3](C[3]B[5]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CNO){2|C<3>,2|H<1>,2|O<2>}	121.0515	1.002	2	121.0515	1.004	2	121.0515	1.004	2	121.0515	1.004	2	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:1:	4:2:2:	4:4:1:1:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[3](C[3]C[6a]C[3]C)(C[3]B[5]C[3]H)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[3](C[3]C[6a]C[3]C)(C[3]B[5]C[3]H)(H)2{2|C<3>,2|O<2>}	118.1315	1.346	2	118.1315	1.811	2	118.1315	1.811	2	118.1315	1.811	2	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:1:	4:2:2:	4:4:4:1:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:C-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{1|C<3>,2|H<1>,5|C<4>}	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H){2|C<3>,2|O<2>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:4:	4:2:2:	4:3:4:1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH)	B[5](C[3]C[3]2C)(O[5]C[5])2	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3]B[5]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|C<3>,2|H<1>,2|O<2>}	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:4:	4:2:2:	4:4:1:1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN)	B[5](C[3]C[3]2C)(O[5]C[5])2	C[3](C[3]B[5]C[3]C)(C[3]C[3]HH)(H)2	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN){2|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{4|C<4>,4|H<1>}	C[3](C[3]B[5]C[3]C)(C[3]C[3]HH)(H)2{2|O<2>}	112.8735	2.992	2	112.8735	8.951	2	115.0433	18.600	3	115.0433	18.600	3	118.3598	9.586	15	118.9027	11.371	17
486	2	486	0:SP3_SP2_SP3	C[3]	B[5]	C[3]	4:4:3:4:	4:2:2:	4:4:1:1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH)	B[5](C[3]C[3]2C)(O[5]C[5])2	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{1|C<3>,3|H<1>,4|C<4>}	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(H)2{2|C<3>,2|O<2>}	119.3830	0.000	1	119.3830	0.000	1	115.0433	18.600	3	115.0433	18.600	3	118.3598	9.586	15	118.9027	11.371	17
486	2	490	0:SP3_SP2_SP3	C[3]	B[5]	C	4:3:3:4:	4:2:2:	4:4:2:1:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C-4:O-2:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	B[5](C[3]C[3]N[3]C)(O[5]C[5])2	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	B[5](C[3]C[3]N[3]C)(O[5]C[5])2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	116.7037	6.508	3	116.7037	6.508	3
486	2	490	0:SP3_SP2_SP3	C[3]	B[5]	C	4:4:3:4:	4:2:2:	4:3:1:1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:H-1:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH)	B[5](C[3]C[3]2C)(O[5]C[5])2	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{1|C<3>,3|H<1>,4|C<4>}	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	116.7037	6.508	3	116.7037	6.508	3
486	2	490	0:SP3_SP2_SP3	C[3]	B[5]	C	4:4:3:4:	4:2:2:	4:3:3:1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:N-3:H-1:	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN)	B[5](C[3]C[3]2C)(O[5]C[5])2	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN){2|C<4>}	B[5](C[3]C[3]2C)(O[5]C[5])2{4|C<4>,4|H<1>}	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	116.7037	6.508	3	116.7037	6.508	3
486	2	643	0:SP3_SP2_SP2	C[3]	B[5]	C[6a]	4:3:4:3:	4:2:2:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[3]SeC)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{1|Se<2>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	115.2770	0.000	1	115.2770	0.000	1	114.1085	2.731	2	114.1085	2.731	2	114.1085	2.731	2	114.1085	2.731	2
486	2	643	0:SP3_SP2_SP2	C[3]	B[5]	C[6a]	4:3:4:3:	4:2:2:	4:3:3:	C[3]-4:C[6a]-3:C[3]-4:B[5]-3:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2)	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	B[5](C[3]C[6a]C[3]2)(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[6a](C[3]B[5]C[3]2)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	112.9400	0.000	1	112.9400	0.000	1	114.1085	2.731	2	114.1085	2.731	2	114.1085	2.731	2	114.1085	2.731	2
486	2	951	0:SP3_SP-NON_SP2	C[3]	B[5]	H	4:4:3:1:	4:2:2:	4:	C[3,6]-4:C[3,6]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H)	B[5](C[3]C[3,6]2H)(O[5]C[5])2	H(C[3]C[3,6]2B[5])	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(B[5]O[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	B[5](C[3]C[3,6]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	H(C[3]C[3,6]2B[5])	113.5790	0.000	1	113.5790	0.000	1	113.5790	0.000	1	114.8750	0.897	4	114.8750	0.897	4	114.8750	0.897	4
486	2	951	0:SP3_SP-NON_SP2	C[3]	B[5]	H	4:4:3:1:	4:2:2:	4:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	H(C[3]B[5]C[3]2)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	H(C[3]B[5]C[3]2)	115.5765	0.131	2	115.5765	0.017	2	115.3070	0.226	3	114.8750	0.897	4	114.8750	0.897	4	114.8750	0.897	4
486	2	951	0:SP3_SP-NON_SP2	C[3]	B[5]	H	4:4:3:1:	4:2:2:	4:	C[3]-4:C[3]-4:B[5]-3:H-1:	C[3]-4:O[5]-2:O[5]-2:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H)	B[5](C[3]C[3]2H)(O[5]C[5])2	H(C[3]B[5]C[3]2)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	B[5](C[3]C[3]2H)(O[5]C[5])2{1|C<3>,2|H<1>,5|C<4>}	H(C[3]B[5]C[3]2)	114.7680	0.000	1	114.7680	0.000	1	115.3070	0.226	3	114.8750	0.897	4	114.8750	0.897	4	114.8750	0.897	4
486	18	18	3:SP3_SPD6_SPD6	C[3,3,3x5,8x6]	B[5x3,3x5,12x6]	B[4x3,5x5,20x6]	6:6:6:4:	6:6:6:6:4:1:	6:6:5:6:4:1:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4,4x5,15x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H)	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H){1|Si<4>,1|B<4>,1|B<6>,2|N<3>,3|H<1>}	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|B<4>,1|B<6>,4|H<1>,4|N<3>}	74.5938	0.000	1	74.5938	0.000	1	74.5938	0.000	1	74.5938	0.000	1	74.5938	0.000	1	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,3,3x5,8x6]	B[5x3,3x5,12x6]	B[4x3,6x5,18x6]	6:6:6:4:	6:6:6:6:4:1:	6:6:5:6:4:1:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[3x3,4,5x5,14x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H)	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H){1|Si<4>,1|B<4>,1|B<6>,2|N<3>,3|H<1>}	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|Si<4>,1|B<6>,2|N<3>,5|H<1>}	68.0075	0.000	1	68.0075	0.000	1	68.0075	0.000	1	68.0075	0.000	1	68.0075	0.000	1	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[4x3,3x5,12x6]	6:5:6:1:	6:6:6:5:4:1:	6:6:6:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Ge<4>,1|B<5>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	59.3563	0.000	1	59.3563	0.000	1	59.4455	0.016	2	59.4455	0.016	2	60.1641	0.715	4	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[4x3,3x5,12x6]	6:5:6:1:	6:6:6:5:4:1:	6:6:6:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Si<4>,1|B<5>,3|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	59.5347	0.000	1	59.5347	0.000	1	59.4455	0.016	2	59.4455	0.016	2	60.1641	0.715	4	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[4x3,3x5,12x6]	6:5:6:4:	6:6:6:5:4:1:	6:6:6:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H){1|B<5>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	60.7043	0.000	1	60.7043	0.000	1	60.7043	0.000	1	60.8828	0.064	2	60.1641	0.715	4	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[4x3,3x5,12x6]	6:5:6:4:	6:6:6:5:4:1:	6:6:6:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H){1|B<5>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	61.0612	0.000	1	61.0612	0.000	1	61.0612	0.000	1	60.8828	0.064	2	60.1641	0.715	4	64.8141	37.689	7
486	18	18	3:SP3_SPD6_SPD6	C[3,4,4,5,4x6]	B[4x3,4,4x5,15x6]	B[4x3,4,4x5,15x6]	6:6:5:4:	6:6:6:6:4:1:	6:6:6:6:4:1:	B[4x3,4,4x5,15x6]-6:B[4x3,4,4x5,15x6]-6:C[3,3,4,4,3x5,10x6]-5:C[5]-4:	B[4x3,4,5x5,19x6]-6:B[4x3,4,4x5,15x6]-6:B[5x3,3x5,17x6]-6:B[5x3,3x5,16x6]-6:C[3,4,4,5,4x6]-4:H-1:	B[4x3,4,5x5,19x6]-6:B[4x3,4,4x5,15x6]-6:B[5x3,3x5,17x6]-6:B[5x3,3x5,16x6]-6:C[3,4,4,5,4x6]-4:H-1:	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH)	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H)	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H)	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH){3|Br<1>,3|B<6>,7|H<1>}	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H){3|Br<1>,1|B<6>,2|C<4>,4|H<1>}	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H){3|Br<1>,1|B<6>,2|C<4>,4|H<1>}	70.4410	0.000	1	70.4410	0.000	1	70.4410	0.000	1	70.4410	0.000	1	70.4410	0.000	1	64.8141	37.689	7
486	18	18	5:SP3_SPD6_SPD6	C[3,3,3x5,8x6]	B[4x3,6x5,18x6]	B[4x3,5x5,20x6]	6:6:6:4:	6:6:5:6:4:1:	6:6:5:6:4:1:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[3x3,4,5x5,14x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4,4x5,15x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|Si<4>,1|B<6>,2|N<3>,5|H<1>}	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|B<4>,1|B<6>,4|H<1>,4|N<3>}	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1
486	18	310	0:SP3_SP3_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	Ge	6:5:6:4:	6:6:6:4:4:1:	4:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	134.6540	0.000	1	134.6540	0.000	1	134.6540	0.000	1	134.6540	0.000	1	134.6540	0.000	1	141.9180	105.531	2
486	18	310	0:SP3_SP3_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	Ge	6:5:6:4:	6:6:6:5:4:1:	4:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H)	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H){1|B<5>,4|H<1>}	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	149.1820	0.000	1	149.1820	0.000	1	149.1820	0.000	1	149.1820	0.000	1	149.1820	0.000	1	141.9180	105.531	2
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	5:5:6:1:	6:6:5:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H){1|P<4>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<3>,3|H<1>}	67.6562	0.063	2	67.6740	0.058	4	67.6740	0.058	4	67.6740	0.058	4	68.1983	0.780	6	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	5:5:6:1:	6:6:5:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H)	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H){1|P<4>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]P[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]H)(H){1|B<5>,1|C<4>,3|H<1>}	67.6919	0.409	2	67.6740	0.058	4	67.6740	0.058	4	67.6740	0.058	4	68.1983	0.780	6	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	6:5:5:3:	6:6:5:5:4:1:	6:6:5:4:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,5|H<1>}	68.7827	0.000	1	68.7827	0.000	1	68.7827	0.000	1	68.7827	0.000	1	68.1983	0.780	6	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	6:5:5:4:	6:6:5:5:4:1:	6:6:5:4:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H){1|B<5>,1|H<2>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H)(C[3,3,5,4x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]C)(H){1|B<6>,1|C<4>,1|H<2>,3|H<1>}	69.7112	0.000	1	69.7112	0.000	1	69.7112	0.000	1	69.7112	0.000	1	68.1983	0.780	6	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[3x3,5,5,9x6]	6:5:6:1:	6:6:6:5:4:1:	6:6:5:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Ge<4>,1|B<5>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	60.6822	0.000	1	60.3489	0.222	2	60.3489	0.222	2	60.3489	0.222	2	59.0015	2.527	4	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[3x3,5,5,9x6]	6:5:6:1:	6:6:6:5:4:1:	6:6:5:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Si<4>,1|B<5>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	60.0156	0.000	1	60.3489	0.222	2	60.3489	0.222	2	60.3489	0.222	2	59.0015	2.527	4	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[3x3,5,5,9x6]	6:5:6:4:	6:6:6:5:4:1:	6:6:5:4:3:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Ge)(H){1|B<5>,4|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC){1|B<6>,1|C<4>,4|H<1>}	57.4351	0.000	1	57.4351	0.000	1	57.4351	0.000	1	57.6540	0.096	2	59.0015	2.527	4	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	B[3x3,5,5,9x6]	6:5:6:4:	6:6:6:5:4:1:	6:6:5:4:3:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H){1|B<5>,4|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC){1|B<6>,1|C<4>,4|H<1>}	57.8730	0.000	1	57.8730	0.000	1	57.8730	0.000	1	57.6540	0.096	2	59.0015	2.527	4	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3,5,6]	B[5x3,5,6]	B[3x3,5,5,6,6]	6:5:4:4:	6:6:5:4:4:1:	6:6:6:4:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C[3,3,5,6]-4:H-1:	B[5x3,5,6]-6:B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H)	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H)	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H){1|B<4>,1|B<6>,1|C<4>,3|H<1>}	B[3x3,5,5,6,6](B[5x3,5,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]C[3,3,5,6]H)(B[5x3,5,5,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]B[5x3,5,6]H)(B[4x3,3x5,3x6]B[5x3,5,5,6]2B[3,3,5,6]B[5x3,5,6]H)(C[3,3,5,6]B[3,3,5,6]B[5x3,5,6]C)(H){1|B<5>,1|C<4>,5|H<1>}	70.0167	0.833	2	70.0167	0.693	2	70.0167	0.693	2	70.0167	0.693	2	70.0167	0.693	2	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,3x5,3x6]	B[4x3,3x5,11x6]	B[3x3,5,5,6x6]	6:5:4:4:	6:6:5:5:4:1:	6:6:7:4:1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,3x5,6x6]-6:B[5x3,5,5,8x6]-6:B[3x3,5,5,6x6]-5:B[3x3,3x5,11x6]-5:C[3,3x5,3x6]-4:H-1:	B[5x3,5,5,8x6]-6:B[4x3,3x5,11x6]-6:B[4x3,4x5,14x6]-7:C[3,3x5,3x6]-4:H-1:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H)	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H){1|Ca<8>,1|B<5>,1|B<6>,1|H<2>,2|C<4>,5|H<1>}	B[3x3,5,5,6x6](B[5x3,5,5,8x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]2CaH)(C[3,3x5,3x6]B[4x3,3x5,11x6]C[3,3x5,3x6]C[5])(H){1|H<2>,2|B<6>,2|C<4>,6|H<1>}	68.8448	0.231	2	68.8448	0.053	2	68.8448	0.053	2	68.8448	0.053	2	68.8448	0.053	2	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	B[3x3,5,6x6]	6:5:4:4:	6:6:6:5:4:1:	6:6:5:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:C[3x3,5,5,8x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H){1|B<5>,1|C<4>,4|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]C)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3,4,3x6]C)(H){1|B<5>,1|B<6>,5|H<1>}	72.7293	0.000	1	72.7293	0.000	1	72.7293	0.000	1	72.7293	0.000	1	67.5384	20.597	3	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	B[3x3,5,6x6]	6:5:4:4:	6:6:6:5:4:1:	6:6:6:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[4x3,5,5,8x6]-6:C[3,4,3x6]-4:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H){1|B<6>,1|C<4>,1|H<2>,4|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(B[4x3,5,5,8x6]B[4x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H[3]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]C[3,4,3x6]C)(H){1|B<5>,1|B<6>,1|C<4>,4|H<1>}	64.9429	0.880	2	64.9429	0.775	2	64.9429	0.775	2	64.9429	0.775	2	67.5384	20.597	3	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,4,4x6]	B[4x3,4,5,5,8x6]	B[3x3,5,6x6]	6:5:4:4:	6:6:6:5:4:1:	6:6:5:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:H-1:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[3x3,5,5,8x6]-5:C[3,4,4x6]-4:H-1:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H)	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H){1|B<5>,1|C<3>,1|C<4>,6|H<1>}	B[3x3,5,6x6](B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]C[3,4,4x6]C[6])(H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,6|H<1>}	64.7595	0.712	4	64.7595	0.507	4	64.7595	0.507	4	64.7595	0.507	4	64.7595	0.507	4	65.9414	16.262	22
486	18	442	3:SP3_SPD5_SPD6	C[3,4,5,3x6]	B[4x3,4,5,5,8x6]	B[3x3,5,6x6]	6:5:4:4:	6:6:6:5:4:1:	6:6:6:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[3x3,5,5,8x6]-6:C[3,4,5,3x6]-4:H-1:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H)	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H){1|Sn<5>,1|B<6>,2|C<4>,6|H<1>}	B[3x3,5,6x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]H)(B[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]C[3,4,5,3x6]C[5])(H){2|B<6>,2|C<4>,6|H<1>}	66.1382	0.000	1	66.1382	0.000	1	66.1382	0.000	1	66.1382	0.000	1	66.1382	0.000	1	65.9414	16.262	22
486	18	442	5:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	B[3x3,5,5,9x6]	6:5:6:4:	6:6:6:4:4:1:	6:6:5:4:3:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Ge)(SCC){1|B<6>,1|C<4>,4|H<1>}	104.0590	0.000	1	104.0590	0.000	1	104.0590	0.000	1	104.3615	0.183	2	104.3615	0.183	2	104.3615	0.183	2
486	18	442	5:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	B[3x3,5,5,9x6]	6:5:6:4:	6:6:6:4:4:1:	6:6:5:4:3:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:S-3:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]Si)(SCC){1|B<6>,1|C<4>,4|H<1>}	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	104.3615	0.183	2	104.3615	0.183	2	104.3615	0.183	2
486	18	442	6:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	B[3x3,5,5,9x6]	6:5:6:1:	6:6:6:4:4:1:	6:6:5:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	104.8930	0.000	1	104.8930	0.000	1	104.9085	0.000	2	104.9085	0.000	2	104.9085	0.000	2	104.9085	0.000	2
486	18	442	6:SP3_SPD5_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	B[3x3,5,5,9x6]	6:5:6:1:	6:6:6:4:4:1:	6:6:5:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,7x6]-6:B[3x3,5,5,11x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	B[3x3,5,5,9x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]H)(B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)(B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]2H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[5x3,5,5,7x6]H)(H){1|B<6>,1|C<4>,1|S<3>,3|H<1>}	104.9240	0.000	1	104.9240	0.000	1	104.9085	0.000	2	104.9085	0.000	2	104.9085	0.000	2	104.9085	0.000	2
486	18	466	0:SP3_SP3_SPD6	C[3,4,4x6]	B[4x3,4,5,5,8x6]	C[6]	6:5:4:4:	6:6:6:5:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:H-1:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H){1|B<5>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	114.9930	0.289	4	114.9930	0.083	4	114.9930	0.083	4	114.9930	0.083	4	114.9930	0.083	4	114.9930	0.083	4
486	18	474	0:SP3_SP3_SPD6	C[3,3x5,3x6]	B[4x3,3x5,11x6]	C[5]	6:5:4:4:	6:6:5:5:4:1:	4:4:1:1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,3x5,6x6]-6:B[5x3,5,5,8x6]-6:B[3x3,5,5,6x6]-5:B[3x3,3x5,11x6]-5:C[3,3x5,3x6]-4:H-1:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H){1|Ca<8>,1|B<5>,1|B<6>,1|H<2>,2|C<4>,5|H<1>}	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	118.2465	0.315	2	118.2465	0.099	2	118.2465	0.099	2	118.2465	0.099	2	118.2465	0.099	2	121.2350	11.766	7
486	18	474	0:SP3_SP3_SPD6	C[3,4,4,5,4x6]	B[4x3,4,4x5,15x6]	C[5]	6:6:5:4:	6:6:6:6:4:1:	4:4:1:1:	B[4x3,4,4x5,15x6]-6:B[4x3,4,4x5,15x6]-6:C[3,3,4,4,3x5,10x6]-5:C[5]-4:	B[4x3,4,5x5,19x6]-6:B[4x3,4,4x5,15x6]-6:B[5x3,3x5,17x6]-6:B[5x3,3x5,16x6]-6:C[3,4,4,5,4x6]-4:H-1:	C[3,4,4,5,4x6]-4:C[5]-4:H-1:H-1:	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH)	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H)	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH){3|Br<1>,3|B<6>,7|H<1>}	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H){3|Br<1>,1|B<6>,2|C<4>,4|H<1>}	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2{4|H<1>,6|B<6>}	125.0580	0.984	2	125.0580	0.969	2	125.0580	0.969	2	125.0580	0.969	2	125.0580	0.969	2	121.2350	11.766	7
486	18	474	0:SP3_SP3_SPD6	C[3,4,5,3x6]	B[4x3,4,5,5,8x6]	C[5]	6:5:4:4:	6:6:6:5:4:1:	4:4:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:H-1:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H){1|Sn<5>,1|B<6>,2|C<4>,6|H<1>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	119.0615	5.817	2	121.2350	11.766	7
486	18	474	0:SP3_SP3_SPD6	C[3,4,5,3x6]	B[4x3,4,5,5,8x6]	C[5]	6:6:4:4:	6:6:6:6:4:1:	4:4:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:H-1:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]SnH)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){3|B<6>,9|H<1>}	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]SnH)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H){1|B<6>,2|C<4>,6|H<1>}	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{1|Sn<5>,1|B<5>,4|B<6>,4|H<1>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	119.0615	5.817	2	121.2350	11.766	7
486	18	474	0:SP3_SP3_SPD6	C[3,5,5]	B[5x3,5x5,20x6]	C[5,5]	6:4:4:4:	6:6:6:6:6:4:	4:4:1:1:	B[5x3,5x5,20x6]-6:C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,5,5]-4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5])	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH){1|C<3>,1|O<2>,2|S<2>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5]){1|B<6>,3|C<4>,9|H<1>}	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2{1|C<3>,1|O<2>,2|C<6>,3|B<6>,4|H<1>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	121.2350	11.766	7
486	18	486	0:SP3_SP3_SPD6	C[3,5,5]	B[5x3,5x5,20x6]	C[3,5,5]	6:4:4:4:	6:6:6:6:6:4:	4:4:4:1:	B[5x3,5x5,20x6]-6:C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,5,5]-4:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5])	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H)	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH){1|C<3>,1|O<2>,2|S<2>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5]){1|B<6>,3|C<4>,9|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H){1|O<2>,2|C<6>,3|B<6>,4|H<1>}	117.5670	0.000	1	117.5670	0.000	1	122.8320	55.440	2	122.8320	55.440	2	122.8320	55.440	2	122.8320	55.440	2
486	18	486	0:SP3_SP3_SPD6	C[3,5,5]	B[5x3,5x5,20x6]	C[3,5,5]	6:4:4:4:	6:6:6:6:6:4:	4:4:4:1:	B[5x3,5x5,20x6]-6:C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[3,5,5]-4:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5])	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H)	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH){1|C<3>,1|O<2>,2|S<2>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]S)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[3,5,5]C[3,5,5]2C[5,5]){1|B<6>,3|C<4>,9|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	128.0970	0.000	1	128.0970	0.000	1	122.8320	55.440	2	122.8320	55.440	2	122.8320	55.440	2	122.8320	55.440	2
486	18	486	3:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	C[3,3,5]	4:4:6:4:	4:4:4:4:4:3:	4:4:6:4:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[5]-3:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5,6]N[5])	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){1|N<3>,3|C<4>}	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5,6]N[5]){1|C<3>,4|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){1|N<3>,3|C<4>}	66.3511	0.924	10	66.3511	0.853	10	66.3511	0.853	10	66.3511	0.853	10	66.2469	0.540	47	66.2469	0.540	47
486	18	486	3:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	C[3,3,5]	4:4:6:4:	4:4:4:4:4:4:	4:4:6:4:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[5]-4:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5]2C)	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){2|C<3>,3|C<4>}	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5]2C){2|C<3>,2|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){2|C<3>,3|C<4>}	66.2187	0.687	37	66.2187	0.472	37	66.2187	0.472	37	66.2187	0.472	37	66.2469	0.540	47	66.2469	0.540	47
486	18	486	6:SP3_SP3_SPD6	C[3,3x5,3x6]	B[4x3,3x5,11x6]	C[3,3x5,3x6]	6:5:4:4:	6:6:5:5:4:1:	6:5:4:4:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	B[5x3,3x5,6x6]-6:B[5x3,5,5,8x6]-6:B[3x3,5,5,6x6]-5:B[3x3,3x5,11x6]-5:C[3,3x5,3x6]-4:H-1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	B[4x3,3x5,11x6](B[5x3,3x5,6x6]B[3x3,3x5,11x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[4x3,4x5,14x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,6x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]C[3,3x5,3x6]H)(B[3x3,3x5,11x6]B[4x3,3x5,11x6]B[5x3,3x5,6x6]2H)(C[3,3x5,3x6]B[3x3,5,5,6x6]C[3,3x5,3x6]C[5])(H){1|Ca<8>,1|B<5>,1|B<6>,1|H<2>,2|C<4>,5|H<1>}	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	122.6265	0.672	2	122.6265	0.452	2	122.6265	0.452	2	122.6265	0.452	2	122.6265	0.452	2	102.6443	117.557	10
486	18	486	6:SP3_SP3_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	C[3,4,3x6]	6:5:4:4:	6:6:6:5:4:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H){1|B<6>,1|C<4>,1|H<2>,4|H<1>}	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	97.4167	5.094	2	97.4167	25.953	2	97.4167	25.953	2	97.4167	25.953	2	97.4167	25.953	2	102.6443	117.557	10
486	18	486	6:SP3_SP3_SPD6	C[3,4,4x6]	B[4x3,4,5,5,8x6]	C[3,4,4x6]	6:5:4:4:	6:6:6:5:4:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,4x6]-4:C[6]-4:	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH)	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,4x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,4x6]H)(C[3,4,4x6]B[3x3,5,6x6]C[3,4,4x6]C[6])(H){1|B<5>,1|C<3>,1|C<4>,6|H<1>}	C[3,4,4x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[6])(C[6]C[6,6a]HH){1|B<5>,2|B<6>,2|C<3>,7|H<1>}	97.7542	2.130	4	97.7542	4.535	4	97.7542	4.535	4	97.7542	4.535	4	97.7542	4.535	4	102.6443	117.557	10
486	18	486	6:SP3_SP3_SPD6	C[3,4,5,3x6]	B[4x3,4,5,5,8x6]	C[3,4,5,3x6]	6:5:4:4:	6:6:6:5:4:1:	6:6:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:C[5]-4:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]H)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H){1|Sn<5>,1|B<6>,2|C<4>,6|H<1>}	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){3|B<6>,9|H<1>}	94.5373	0.000	1	94.5373	0.000	1	94.5373	0.000	1	94.5373	0.000	1	97.6697	19.623	2	102.6443	117.557	10
486	18	486	6:SP3_SP3_SPD6	C[3,4,5,3x6]	B[4x3,4,5,5,8x6]	C[3,4,5,3x6]	6:6:4:4:	6:6:6:6:4:1:	6:5:4:4:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:C[5]-4:	B[4x3,4,5,5,8x6]-6:B[5x3,5,5,5x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]SnH)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){3|B<6>,9|H<1>}	B[4x3,4,5,5,8x6](B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,5,3x6]H)(B[5x3,5,5,5x6]B[3x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,5,3x6]SnH)(C[3,4,5,3x6]B[3x3,5,6x6]C[3,4,5,3x6]C[5])(H){1|B<6>,2|C<4>,6|H<1>}	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	100.8020	0.000	1	100.8020	0.000	1	100.8020	0.000	1	100.8020	0.000	1	97.6697	19.623	2	102.6443	117.557	10
486	18	490	0:SP3_SP3_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	C	6:5:5:4:	6:6:5:5:4:1:	4:1:1:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:H-1:H-1:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H){1|B<5>,1|H<2>,3|H<1>}	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	126.3750	0.000	1	126.3750	0.000	1	126.3750	0.000	1	126.3750	0.000	1	126.3750	0.000	1	129.3862	26.682	31
486	18	490	0:SP3_SP3_SPD6	C[3,3,5,6]	B[5x3,5,6]	C	6:5:4:4:	6:6:5:4:4:1:	4:3:1:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C[3,3,5,6]-4:H-1:	C[3,3,5,6]-4:C[6a]-3:H-1:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H)	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H){1|B<4>,1|B<6>,1|C<4>,3|H<1>}	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	132.0850	0.537	2	132.0850	0.289	2	132.0850	0.289	2	132.0850	0.289	2	132.0850	0.289	2	129.3862	26.682	31
486	18	490	0:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	C	4:4:6:4:	4:4:4:4:4:3:	4:1:1:1:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[5]-3:	C[3,3,5]-4:H-1:H-1:H-1:	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5,6]N[5])	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){1|N<3>,3|C<4>}	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5,6]N[5]){1|C<3>,4|C<4>}	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	133.6394	2.353	5	133.6394	5.539	5	133.6394	5.539	5	133.6394	5.539	5	130.9756	4.879	25	129.3862	26.682	31
486	18	490	0:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	C	4:4:6:4:	4:4:4:4:4:4:	4:1:1:1:	C[3,3,5]-4:C[3,3,5]-4:B[5x3]-6:C-4:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[5]-4:	C[3,3,5]-4:H-1:H-1:H-1:	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3)	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5]2C)	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	C[3,3,5](C[3,3,5]C[3,3,5]B[5x3]C)2(B[5x3]C[3,3,5]4C[5])(CH3){2|C<3>,3|C<4>}	B[5x3](C[3,3,5]C[3,3,5]2C)5(C[5]C[5]2C){2|C<3>,2|C<4>}	C(C[3,3,5]C[3,3,5]2B[5x3])(H)3	130.3096	1.632	20	130.3096	2.663	20	130.3096	2.663	20	130.3096	2.663	20	130.9756	4.879	25	129.3862	26.682	31
486	18	490	0:SP3_SP3_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	C	6:5:4:4:	6:6:6:5:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H){1|B<5>,1|C<4>,4|H<1>}	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	115.3460	2.459	3	115.3460	2.459	3	129.3862	26.682	31
486	18	490	0:SP3_SP3_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	C	6:5:4:4:	6:6:6:5:4:1:	4:3:1:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(CC[6a]HH){1|H<2>,3|B<6>,5|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[4x3,5,5,8x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]C[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[4x3,5,5,8x6]B[5x3,5,5,5x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]C[3,4,3x6]C)(H){1|B<6>,1|C<4>,1|H<2>,4|H<1>}	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	114.7070	1.571	2	114.7070	2.469	2	114.7070	2.469	2	115.3460	2.459	3	115.3460	2.459	3	129.3862	26.682	31
486	18	643	0:SP3_SP2_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	C[6a]	6:5:5:3:	6:6:5:5:4:1:	4:3:3:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:C[6a]-3:C[6a]-3:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H)	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,3|H<1>}	C[6a](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(C[6a]C[6a]H)2{1|C<3>,2|B<5>,2|B<6>,5|H<1>}	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1	127.3010	0.000	1
486	18	654	3:SP3_SP3_SPD6	C[3,3,5,6]	B[5x3,5,6]	B[3,3,5,6]	6:5:4:4:	6:6:5:4:4:1:	6:6:4:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	B[5x3,5,5,6]-6:B[4x3,3x5,3x6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C[3,3,5,6]-4:H-1:	B[5x3,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H)	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H)	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	B[5x3,5,6](B[5x3,5,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]2B[5x3,5,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]C[3,3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]C)(H){1|B<4>,1|B<6>,1|C<4>,3|H<1>}	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H){1|C<4>,2|B<6>,4|H<1>}	72.2815	1.001	2	72.2815	1.003	2	72.2815	1.003	2	72.2815	1.003	2	72.2815	1.003	2	68.8056	16.444	4
486	18	654	3:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	B[3,3,5]	5:6:4:4:	5:5:4:4:4:1:	6:4:4:1:	B[3,3,5]-5:B[5x3]-6:B[3,3,5]-4:Si-4:	B[3,3,5]-5:B[3,3,5]-5:C[3,3,5]-4:C[3,3,5]-4:B[3,3,5]-4:H-1:	B[5x3]-6:C[3,3,5]-4:C[3,3,5]-4:H-1:	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3)	B[5x3](B[3,3,5]B[3,3,5]C[3,3,5]DyH)2(C[3,3,5]B[3,3,5]2Si)2(B[3,3,5]C[3,3,5]2H)(H)	B[3,3,5](B[5x3]B[3,3,5]2C[3,3,5]2H)(C[3,3,5]B[3,3,5]B[5x3]Si)2(H)	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3){1|Si<4>,1|H<2>}	B[5x3](B[3,3,5]B[3,3,5]C[3,3,5]DyH)2(C[3,3,5]B[3,3,5]2Si)2(B[3,3,5]C[3,3,5]2H)(H)	B[3,3,5](B[5x3]B[3,3,5]2C[3,3,5]2H)(C[3,3,5]B[3,3,5]B[5x3]Si)2(H){1|Dy<16>,2|H<2>}	65.3297	0.059	2	65.3297	0.004	2	65.3297	0.004	2	65.3297	0.004	2	65.3297	0.004	2	68.8056	16.444	4
486	18	654	6:SP3_SP3_SPD6	C[3,4,3x6]	B[4x3,4,5,5,8x6]	B[3,4,3x6]	6:5:4:4:	6:6:6:5:4:1:	6:5:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	B[5x3,5,5,5x6]-6:B[4x3,4,5,5,8x6]-6:B[5x3,3x5,4x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H)	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	B[4x3,4,5,5,8x6](B[5x3,5,5,5x6]B[5x3,3x5,4x6]B[5x3,3x5,6,6]C[3x3,5,5,8x6]B[3x3,5,6x6]H)(B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]B[3,4,3x6]H)(B[5x3,3x5,4x6]B[4x3,4,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]2H)(B[3x3,5,6x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]C[3,4,3x6]H)(C[3,4,3x6]B[3x3,5,6x6]B[3,4,3x6]C)(H){1|B<5>,1|C<4>,4|H<1>}	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H){1|C<5>,2|B<6>,5|H<1>}	76.4876	0.000	1	76.4876	0.000	1	76.4876	0.000	1	76.4876	0.000	1	76.4876	0.000	1	76.4876	0.000	1
486	18	778	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	C[3x3,5,5,7x6]	6:5:5:3:	6:6:5:5:4:1:	6:6:5:4:1:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H)	C[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[6a]C[6a]2){1|B<5>,1|B<6>,2|C<3>,6|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C[6a])(H){1|B<5>,2|C<3>,3|H<1>}	C[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,5|H<1>}	66.4835	0.000	1	66.4835	0.000	1	66.4835	0.000	1	66.4835	0.000	1	65.9001	0.299	3	65.9001	0.299	3
486	18	778	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	C[3x3,5,5,7x6]	6:5:5:4:	6:6:5:5:4:1:	6:6:6:4:4:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-4:C-4:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H)	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]C)(C[3,3,5,4x6]B[3x3,5,5,7x6]C[3x3,5,5,7x6]C)(H){1|B<5>,1|H<2>,3|H<1>}	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,4|H<1>}	65.8163	0.000	1	65.8163	0.000	1	65.8163	0.000	1	65.8163	0.000	1	65.9001	0.299	3	65.9001	0.299	3
486	18	778	3:SP3_SPD5_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	C[3x3,5,5,7x6]	6:6:5:2:	6:6:6:5:4:1:	6:6:6:4:1:	B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:C[3x3,5,5,7x6]-5:S-2:	B[5x3,3x5,6,6]-6:B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3]Os)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(SC)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]C[3x3,5,5,7x6]S)(H)	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]S)(H)	C[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3]Os)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(SC){1|Os<5>,2|Os<6>,1|B<5>,1|H<2>,2|B<6>,2|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]C[3x3,5,5,7x6]S)(H){1|Os<5>,2|Os<6>,1|B<5>,1|B<6>,1|H<1>,1|H<2>}	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]S)(H){1|Os<5>,2|Os<6>,1|H<2>,2|B<6>,2|H<1>}	65.4004	0.000	1	65.4004	0.000	1	65.4004	0.000	1	65.4004	0.000	1	65.9001	0.299	3	65.9001	0.299	3
486	18	778	6:SP3_SPD5_SPD6	C[3,4,4,5,4x6]	B[4x3,4,4x5,15x6]	C[3,3,4,4,3x5,10x6]	6:6:5:4:	6:6:6:6:4:1:	6:6:6:4:4:	B[4x3,4,4x5,15x6]-6:B[4x3,4,4x5,15x6]-6:C[3,3,4,4,3x5,10x6]-5:C[5]-4:	B[4x3,4,5x5,19x6]-6:B[4x3,4,4x5,15x6]-6:B[5x3,3x5,17x6]-6:B[5x3,3x5,16x6]-6:C[3,4,4,5,4x6]-4:H-1:	B[4x3,4,5x5,19x6]-6:B[4x3,4,5x5,19x6]-6:B[5x3,3x5,14x6]-6:C[3,4,4,5,4x6]-4:C[5]-4:	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH)	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H)	C[3,3,4,4,3x5,10x6](B[4x3,4,5x5,19x6]B[4x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)2(B[5x3,3x5,14x6]B[4x3,4,5x5,19x6]2B[5x3,4x5,13x6]2H)(C[3,4,4,5,4x6]B[4x3,4,4x5,15x6]2C[5])(C[5]C[5]HH)	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH){3|Br<1>,3|B<6>,7|H<1>}	B[4x3,4,4x5,15x6](B[4x3,4,5x5,19x6]C[3,3,4,4,3x5,10x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)(B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]C[3,4,4,5,4x6]H)(B[5x3,3x5,17x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,4x5,13x6]B[5x3,5x5,8x6]Br)(B[5x3,3x5,16x6]B[4x3,4,4x5,15x6]B[5x3,3x5,17x6]2B[5x3,5x5,8x6]Br)(C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]C[5])(H){3|Br<1>,1|B<6>,2|C<4>,4|H<1>}	C[3,3,4,4,3x5,10x6](B[4x3,4,5x5,19x6]B[4x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,17x6]B[5x3,4x5,13x6]H)2(B[5x3,3x5,14x6]B[4x3,4,5x5,19x6]2B[5x3,4x5,13x6]2H)(C[3,4,4,5,4x6]B[4x3,4,4x5,15x6]2C[5])(C[5]C[5]HH){4|Br<1>,2|B<6>,6|H<1>}	113.5480	3.157	2	113.5480	9.964	2	113.5480	9.964	2	113.5480	9.964	2	113.5480	9.964	2	113.5480	9.964	2
486	18	880	0:SP3_SP3_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	Si	6:5:6:4:	6:6:6:4:4:1:	4:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	136.6970	0.000	1	136.6970	0.000	1	136.6970	0.000	1	136.6970	0.000	1	136.6970	0.000	1	133.9547	197.495	4
486	18	880	0:SP3_SP3_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	Si	6:5:6:4:	6:6:6:5:4:1:	4:4:4:1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Si-4:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H)	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(SiClCC){1|B<5>,1|B<6>,5|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]S)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]Si)(H){1|B<5>,4|H<1>}	Si(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	152.7300	0.000	1	152.7300	0.000	1	152.7300	0.000	1	152.7300	0.000	1	152.7300	0.000	1	133.9547	197.495	4
486	18	880	0:SP3_SP3_SPD6	C[3,3,5]	B[5x3]	Si	5:6:4:4:	5:5:4:4:4:1:	4:4:4:4:	B[3,3,5]-5:B[5x3]-6:B[3,3,5]-4:Si-4:	B[3,3,5]-5:B[3,3,5]-5:C[3,3,5]-4:C[3,3,5]-4:B[3,3,5]-4:H-1:	C[3,3,5]-4:C-4:C-4:C-4:	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3)	B[5x3](B[3,3,5]B[3,3,5]C[3,3,5]DyH)2(C[3,3,5]B[3,3,5]2Si)2(B[3,3,5]C[3,3,5]2H)(H)	Si(C[3,3,5]B[3,3,5]2B[5x3])(CH3)3	C[3,3,5](B[3,3,5]B[3,3,5]B[5x3]DyH)(B[5x3]B[3,3,5]3C[3,3,5]H)(B[3,3,5]C[3,3,5]B[5x3]H)(SiC3){1|Si<4>,1|H<2>}	B[5x3](B[3,3,5]B[3,3,5]C[3,3,5]DyH)2(C[3,3,5]B[3,3,5]2Si)2(B[3,3,5]C[3,3,5]2H)(H)	Si(C[3,3,5]B[3,3,5]2B[5x3])(CH3)3	123.1960	0.976	2	123.1960	0.952	2	123.1960	0.952	2	123.1960	0.952	2	123.1960	0.952	2	133.9547	197.495	4
486	18	909	0:SP3_SP3_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	S	6:6:5:2:	6:6:6:5:4:1:	4:4:	B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:C[3x3,5,5,7x6]-5:S-2:	B[5x3,3x5,6,6]-6:B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:C[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:C-4:	C[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3]Os)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(SC)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]C[3x3,5,5,7x6]S)(H)	S(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(CH3)	C[3,3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3]Os)(B[5x3,5,5,4x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(SC){1|Os<5>,2|Os<6>,1|B<5>,1|H<2>,2|B<6>,2|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]H)(B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]B[3]Os)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)(C[3,3,5,4x6]B[4x3,5,5,7x6]C[3x3,5,5,7x6]S)(H){1|Os<5>,2|Os<6>,1|B<5>,1|B<6>,1|H<1>,1|H<2>}	S(C[3,3,5,4x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(CH3)	133.6380	0.000	1	133.6380	0.000	1	133.6380	0.000	1	133.6380	0.000	1	133.6380	0.000	1	133.6380	0.000	1
486	18	951	0:SP3_SP-NON_SPD6	C[3,3,5,4x6]	B[5x3,5,5,4x6]	H	5:5:6:1:	6:6:5:5:4:1:	4:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:H-1:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:C[3,3,5,4x6]-4:H-1:	C[3,3,5,4x6]-4:	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H)	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	C[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H){1|B<6>,1|P<4>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]C[3,3,5,4x6]H)2(C[3,3,5,4x6]B[3x3,5,5,7x6]2H)(H){1|P<4>,3|H<1>}	H(C[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])	124.0585	0.240	2	124.0585	0.057	2	124.0585	0.057	2	124.0585	0.057	2	124.0585	0.057	2	133.3180	52.633	6
486	18	951	0:SP3_SP-NON_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	H	6:5:6:1:	6:6:6:4:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ge)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	139.2680	0.000	1	139.2680	0.000	1	139.1540	0.026	2	139.1540	0.026	2	139.1540	0.026	2	133.3180	52.633	6
486	18	951	0:SP3_SP-NON_SPD6	C[3,3,5,5x6]	B[4x3,3x5,12x6]	H	6:5:6:1:	6:6:6:4:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,5,5,7x6]-6:B[5x3,5,5,7x6]-6:B[5x3,4x5,3x6]-6:C[3,3,5,5x6]-4:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[4x3,3x5,12x6](B[5x3,5,5,7x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]C[3,3,5,5x6]H)2(B[5x3,4x5,3x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]2H)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Si)(C[3,3,5,5x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]H)(H){1|B<5>,1|S<3>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	139.0400	0.000	1	139.0400	0.000	1	139.1540	0.026	2	139.1540	0.026	2	139.1540	0.026	2	133.3180	52.633	6
486	18	951	0:SP3_SP-NON_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	H	6:5:6:1:	6:6:6:5:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Ge<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Ge<4>,1|B<5>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	136.5880	0.000	1	136.7415	0.047	2	136.7415	0.047	2	136.7415	0.047	2	136.7415	0.047	2	133.3180	52.633	6
486	18	951	0:SP3_SP-NON_SPD6	C[3,3,5,5x6]	B[5x3,5,5,7x6]	H	6:5:6:1:	6:6:6:5:4:1:	4:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:H-1:	B[5x3,3x5,5x6]-6:B[5x3,4x5,3x6]-6:B[4x3,3x5,12x6]-6:B[3x3,5,5,9x6]-5:C[3,3,5,5x6]-4:H-1:	C[3,3,5,5x6]-4:	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H)	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H)	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(H){1|Si<4>,1|B<5>,1|B<6>,4|H<1>}	B[5x3,5,5,7x6](B[5x3,3x5,5x6]B[3x3,5,5,11x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[5x3,4x5,3x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]2B[5x3,5,5,7x6]H)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]C[3,3,5,5x6]2H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]C[3,3,5,5x6]H)(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]H)(H){1|Si<4>,1|B<5>,3|H<1>}	H(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])	136.8950	0.000	1	136.7415	0.047	2	136.7415	0.047	2	136.7415	0.047	2	136.7415	0.047	2	133.3180	52.633	6
486	18	996	0:SP3_SP3_SPD6	C[3,3,3x5,8x6]	B[5x3,3x5,12x6]	Si[4,5,6,6]	6:6:6:4:	6:6:6:6:4:1:	4:4:3:3:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H)	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,20x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,6x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]Si[4,5,6,6])(H){1|Si<4>,1|B<4>,1|B<6>,2|N<3>,3|H<1>}	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	163.1810	0.000	1	163.1810	0.000	1	163.1810	0.000	1	163.1810	0.000	1	163.1810	0.000	1	163.1810	0.000	1
486	18	996	5:SP3_SP3_SPD6	C[3,3,3x5,8x6]	B[4x3,6x5,18x6]	Si[4,5,6,6]	6:6:6:4:	6:6:5:6:4:1:	4:4:3:3:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[3x3,4,5x5,14x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[4x3,6x5,18x6](B[5x3,3x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|Si<4>,1|B<6>,2|N<3>,5|H<1>}	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1
486	18	996	6:SP3_SP3_SPD6	C[3,3,3x5,8x6]	B[4x3,5x5,20x6]	Si[4,5,6,6]	6:6:6:4:	6:6:5:6:4:1:	4:4:3:3:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4,4x5,15x6]-5:B[5x3,3x5,12x6]-6:C[3,3,3x5,8x6]-4:H-1:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H)	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[4x3,5x5,20x6](B[5x3,3x5,15x6]C[3x3,4,4x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]Si[4,4,6])(B[5x3,3x5,12x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2C[3,3,3x5,8x6]H)(C[3,3,3x5,8x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6]Si[4,5,6,6])(H){1|B<4>,1|B<6>,4|H<1>,4|N<3>}	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1
486	26	206	0:SP3_SP1_SP1	C[3,6]	C[3]	C[6]	3:2:2:1:	4:3:	4:3:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3,6]-3:	C[3,6]-4:C[3,6]-3:	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]){1|C<3>,1|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]){1|C<1>,1|C<2>}	167.8990	3.207	3	167.8990	10.285	3	167.8990	10.285	3	167.8990	10.285	3	167.8990	10.285	3	167.8990	10.285	3
486	26	362	3:SP3_SP1_SPD6	C[3x3]	C[3]	C[3,3]	6:3:3:2:	6:4:	4:3:4:2:1:1:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3]-6:C[3x3]-4:	C[3x3]-4:C[3,3]-3:C[6]-4:C[3]-2:C-1:C-1:	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3])	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3]){1|C<3>,1|H<1>,2|C<4>}	C[3,3](C[3x3]C[3,3]C[3]2)(C[3,3]C[3x3]C[3])(C[6]C[6]2H)(C[3]C[3x3])(C)2{1|Pd<5>,1|C<3>,1|H<1>,3|C<4>}	54.6885	0.000	1	54.6885	0.000	1	54.6885	0.000	1	54.6885	0.000	1	54.6885	0.000	1	54.6885	0.000	1
486	26	474	0:SP3_SP1_SP3	C[3,3]	C[3]	C[5]	3:4:2:2:	4:3:	4:4:3:4:	C[3,3]-3:C[5]-4:C[3]-2:H[3]-2:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[5]-4:N[5]-3:C[5]-4:	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3])	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3])	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH)	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3]){1|N<3>,2|C<4>}	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	143.1060	0.000	1	143.1060	0.000	1	143.1060	0.000	1	143.1060	0.000	1	143.1060	0.000	1	143.1060	0.000	1
486	26	486	0:SP3_SP1_SP3	C[3,3]	C[3]	C[3,3]	3:4:2:1:	4:3:	4:4:3:3:	C[3,3]-3:C[3,3]-4:C[3]-2:C-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[3,3]-4:C[3,3]-3:C[3,3]-3:	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C)	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2)	C[3,3](C[3,3]C[3,3]C[3]C)2(C[3,3]C[3,3]C[3])2	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C){1|C<1>,1|C<2>}	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2){1|C<3>,1|C<4>}	C[3,3](C[3,3]C[3,3]C[3]C)2(C[3,3]C[3,3]C[3])2	125.9240	0.000	1	125.9240	0.000	1	125.9240	0.000	1	125.9240	0.000	1	125.9240	0.000	1	125.9240	0.000	1
486	26	863	0:SP3_SP1_SP2	C[3,3]	C[3]	O	3:4:2:1:	4:3:	4:	C[3,3]-3:O[3,3]-4:C[3]-2:O-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O)	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3])	O(C[3,3]C[3,3]O[3,3]C[3])	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O){1|C<2>,1|O<1>}	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3]){1|C<3>,1|C<4>}	O(C[3,3]C[3,3]O[3,3]C[3])	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1
486	26	899	0:SP3_SP-NON_SP1	C[3,3]	C[3]	C	3:4:2:1:	4:3:	4:	C[3,3]-3:C[3,3]-4:C[3]-2:C-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C)	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2)	C(C[3,3]C[3,3]2C[3])	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C){1|C<1>,1|C<2>}	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2){1|C<3>,1|C<4>}	C(C[3,3]C[3,3]2C[3])	115.6970	0.000	1	115.6970	0.000	1	115.6970	0.000	1	115.6970	0.000	1	115.6970	0.000	1	97.0347	160.319	4
486	26	899	0:SP3_SP-NON_SP1	C[3,6]	C[3]	C	3:2:2:1:	4:3:	4:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3,6]-3:	C[3,6]-4:	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6])	C(C[3,6]C[3,6]C[3]C[6])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]){1|C<3>,1|C<4>}	C(C[3,6]C[3,6]C[3]C[6])	90.8139	2.879	3	90.8139	8.290	3	90.8139	8.290	3	90.8139	8.290	3	90.8139	8.290	3	97.0347	160.319	4
486	26	902	0:SP3_SP1_SP2	C[3x3]	C[3]	C[3,3]	6:3:3:2:	6:4:	6:4:3:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3]-6:C[3x3]-4:	C[3,3]-6:C[3x3]-4:C[3]-3:	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3])	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C)	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3]){1|C<3>,1|H<1>,2|C<4>}	C[3,3](C[3,3]C[3x3]C[3]C[6]CC)(C[3x3]C[3,3]C[3]2)(C[3]C[3x3]C){1|C<3>,1|C<4>,1|H<1>}	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	140.2930	1059.104	2
486	26	902	0:SP3_SP1_SP2	C[3x3]	C[3]	C[3]	6:3:3:2:	6:4:	3:4:4:	C[3,3]-6:C[3,3]-3:C[3]-3:C[3]-2:	C[3,3]-6:C[3x3]-4:	C[3,3]-3:C[3x3]-4:C-4:	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3])	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3])	C[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2C[3])(CCHH)	C[3x3](C[3,3]C[3,3]C[3]C[6]CC)(C[3,3]C[3,3]C[3])(C[3]C[3,3]C)(C[3]C[3,3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,3]C[3,3]C[3x3]C[6]CC)(C[3x3]C[3,3]2C[3]){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,3]C[3,3]C[3x3])(C[3x3]C[3,3]2C[3])(CCHH){1|C<4>,2|C<1>}	163.3050	0.000	1	163.3050	0.000	1	163.3050	0.000	1	163.3050	0.000	1	163.3050	0.000	1	140.2930	1059.104	2
486	26	902	3:SP3_SP1_SP2	C[3,3]	C[3]	C[3,3]	3:4:2:1:	4:3:	4:4:2:	C[3,3]-3:C[3,3]-4:C[3]-2:C-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[3,3]-4:C[3]-2:	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C)	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2)	C[3,3](C[3,3]C[3,3]C[3]C)(C[3,3]C[3,3]3)(C[3]C[3,3])	C[3,3](C[3,3]C[3,3]C[3])(C[3,3]C[3,3]3)(C[3]C[3,3])(C){1|C<1>,1|C<2>}	C[3](C[3,3]C[3,3]2C)(C[3,3]C[3,3]2){1|C<3>,1|C<4>}	C[3,3](C[3,3]C[3,3]C[3]C)(C[3,3]C[3,3]3)(C[3]C[3,3]){1|C<1>,1|C<2>}	62.3041	0.000	1	62.3041	0.000	1	62.3041	0.000	1	60.8650	4.142	2	65.5707	68.503	3	58.9721	82.052	6
486	26	902	3:SP3_SP1_SP2	C[3,3]	C[3]	C[3,3]	3:4:2:1:	4:3:	4:4:2:	C[3,3]-3:O[3,3]-4:C[3]-2:O-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:O[3,3]-4:C[3]-2:	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O)	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3])	C[3,3](C[3,3]O[3,3]C[3]O)(O[3,3]C[3,3]3)(C[3]C[3,3])	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O){1|C<2>,1|O<1>}	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3]){1|C<3>,1|C<4>}	C[3,3](C[3,3]O[3,3]C[3]O)(O[3,3]C[3,3]3)(C[3]C[3,3]){1|C<2>,1|O<1>}	59.4259	0.000	1	59.4259	0.000	1	59.4259	0.000	1	60.8650	4.142	2	65.5707	68.503	3	58.9721	82.052	6
486	26	902	3:SP3_SP1_SP2	C[3,3]	C[3]	C[3,3]	3:4:2:2:	4:3:	4:2:2:	C[3,3]-3:C[5]-4:C[3]-2:H[3]-2:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[3]-2:H[3]-2:	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3])	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3])	C[3,3](C[3,3]C[3]C[5]H[3])(C[3]C[3,3])(H[3]C[3,3])	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3]){1|N<3>,2|C<4>}	C[3,3](C[3,3]C[3]C[5]H[3])(C[3]C[3,3])(H[3]C[3,3]){1|N<3>,2|C<4>}	74.9822	0.000	1	74.9822	0.000	1	74.9822	0.000	1	74.9822	0.000	1	65.5707	68.503	3	58.9721	82.052	6
486	26	902	3:SP3_SP1_SP2	C[3,6]	C[3]	C[3,6]	3:2:2:1:	4:3:	4:2:2:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3,6]-3:	C[3,6]-4:C[3]-2:C[6]-2:	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6])	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]){1|C<3>,1|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6]){1|C<1>,1|C<2>,1|C<3>}	52.3735	2.450	3	52.3735	6.003	3	52.3735	6.003	3	52.3735	6.003	3	52.3735	6.003	3	58.9721	82.052	6
486	26	920	0:SP3_SP1_SP3	C[3,3]	C[3]	O[3,3]	3:4:2:1:	4:3:	4:4:3:3:	C[3,3]-3:O[3,3]-4:C[3]-2:O-1:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[3,3]-4:C[3,3]-3:C[3,3]-3:	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O)	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3])	O[3,3](C[3,3]C[3,3]C[3]O)2(C[3,3]C[3,3]C[3])2	C[3,3](C[3,3]O[3,3]C[3])(O[3,3]C[3,3]3)(C[3]C[3,3])(O){1|C<2>,1|O<1>}	C[3](C[3,3]C[3,3]O[3,3]O)(C[3,3]C[3,3]O[3,3]){1|C<3>,1|C<4>}	O[3,3](C[3,3]C[3,3]C[3]O)2(C[3,3]C[3,3]C[3])2	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1
486	26	968	0:SP3_SP-NON_SP1	C[3,3]	C[3]	H[3]	3:4:2:2:	4:3:	4:3:	C[3,3]-3:C[5]-4:C[3]-2:H[3]-2:	C[3,3]-4:C[3,3]-3:	C[3,3]-4:C[3,3]-3:	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3])	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3])	H[3](C[3,3]C[3,3]C[3]C[5])(C[3,3]C[3,3]C[3])	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[3](C[3,3]C[3,3]C[5]H[3])(C[3,3]C[3,3]H[3]){1|N<3>,2|C<4>}	H[3](C[3,3]C[3,3]C[3]C[5])(C[3,3]C[3,3]C[3])	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1
486	58	486	0:SP3_SP3_SP3	C[3,5]	S[5]	C[3]	4:4:3:3:	4:4:1:	4:4:1:1:	C[3,5]-4:C[3]-4:S[5]-3:C-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O)	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]S[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O){4|H<1>}	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O){5|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]S[5]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1
486	58	486	5:SP3_SP3_SP3	C[3,5]	S[5]	C[3,5]	4:4:3:3:	4:4:1:	4:4:4:1:	C[3,5]-4:C[3]-4:S[5]-3:C-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O)	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[3]S[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O){4|H<1>}	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O){5|H<1>}	C[3,5](C[3,5]C[3]S[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1
486	58	930	0:SP3_SP2_SP3	C[3,5]	S[5]	C	4:4:3:3:	4:4:1:	4:3:1:	C[3,5]-4:C[3]-4:S[5]-3:C-3:	C[3,5]-4:C[5]-4:O-1:	C[3,5]-4:C[6a]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O)	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O)	C(C[3,5]C[3,5]C[3]S[5])(C[6a]C[6a]2)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(S[5]C[5]O)(CC[6a]O){4|H<1>}	S[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(O){5|H<1>}	C(C[3,5]C[3,5]C[3]S[5])(C[6a]C[6a]2)(O)	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1
486	74	138	0:SP3_SP2_SP3	C[3,4]	N[4]	N[3]	4:3:3:1:	4:3:4:	4:4:4:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4]-4:C[4]-3:C-4:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3){1|C<4>,1|H<1>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	151.5070	0.000	1	151.5070	0.000	1	151.5070	0.000	1	151.5070	0.000	1	151.5070	0.000	1	151.5070	0.000	1
486	74	478	4:SP3_SP3_SP3	C[3,4]	N[4]	C[4]	4:4:4:3:	4:3:3:	4:3:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:N[4]-3:H-1:H-1:	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[4](C[3,4]C[3]2N[4])(N[4]N[4]C)(H)2	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|Cl<1>,4|H<1>}	C[4](C[3,4]C[3]2N[4])(N[4]N[4]C)(H)2{2|Cl<1>,1|C<3>,2|H<1>}	90.3837	0.000	1	90.3837	0.000	1	90.2263	0.050	2	90.2263	0.050	2	90.2263	0.050	2	90.2263	0.050	2
486	74	478	4:SP3_SP3_SP3	C[3,4]	N[4]	C[4]	4:4:4:3:	4:3:3:	4:3:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:N[4]-3:H-1:H-1:	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[4](C[3,4]C[3]2N[4])(N[4]N[4]C)(H)2	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|F<1>,4|H<1>}	C[4](C[3,4]C[3]2N[4])(N[4]N[4]C)(H)2{1|C<3>,2|F<1>,2|H<1>}	90.0690	0.000	1	90.0690	0.000	1	90.2263	0.050	2	90.2263	0.050	2	90.2263	0.050	2	90.2263	0.050	2
486	74	486	0:SP3_SP2_SP3	C[3,3,4,6]	N[4]	C[3,3,6]	3:4:4:3:	4:5:3:	13:4:4:1:	Nb[12x3,4,4]-3:C[3,3,6]-4:C[3,3,6]-4:N[4]-3:	C[3,3,4,6]-4:Nb[4,4]-5:C[6a]-3:	Nb[12x3,4,4]-13:C[3,3,4,6]-4:C[3,3,6]-4:H-1:	C[3,3,4,6](Nb[12x3,4,4]C[3,3,4,6]C[3,3,6]10Nb[4,4])(C[3,3,6]Nb[12x3,4,4]C[3,3,6]H)2(N[4]Nb[4,4]C[6a])	N[4](C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]2)(Nb[4,4]Nb[12x3,4,4]N[4]NN)(C[6a]C[6a]2)	C[3,3,6](Nb[12x3,4,4]C[3,3,4,6]2C[3,3,6]9Nb[4,4])(C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]N[4])(C[3,3,6]Nb[12x3,4,4]C[3,3,6]H)(H)	C[3,3,4,6](Nb[12x3,4,4]C[3,3,4,6]C[3,3,6]10Nb[4,4])(C[3,3,6]Nb[12x3,4,4]C[3,3,6]H)2(N[4]Nb[4,4]C[6a]){2|C<3>,3|N<3>,8|H<1>}	N[4](C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]2)(Nb[4,4]Nb[12x3,4,4]N[4]NN)(C[6a]C[6a]2){3|C<3>,4|H<1>,9|C<4>}	C[3,3,6](Nb[12x3,4,4]C[3,3,4,6]2C[3,3,6]9Nb[4,4])(C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]N[4])(C[3,3,6]Nb[12x3,4,4]C[3,3,6]H)(H){1|C<3>,3|N<3>,8|H<1>}	119.2520	1.154	4	119.2520	1.332	4	119.2520	1.332	4	119.2520	1.332	4	119.2520	1.332	4	119.2520	1.332	4
486	74	486	0:SP3_SP3_SP3	C[3,4]	N[4]	C[3]	4:4:4:3:	4:3:3:	4:4:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:C[3]-4:Cl-1:Cl-1:	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|Cl<1>,4|H<1>}	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(Cl)2{1|C<3>,1|N<3>,2|H<1>}	126.6600	0.000	1	126.6600	0.000	1	126.6600	0.000	1	127.6055	0.668	4	127.6055	0.668	4	127.6055	0.668	4
486	74	486	0:SP3_SP3_SP3	C[3,4]	N[4]	C[3]	4:4:4:3:	4:3:3:	4:4:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:C[3]-4:F-1:F-1:	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(F)2	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|F<1>,4|H<1>}	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]HH)(F)2{1|C<3>,1|N<3>,2|H<1>}	127.3040	0.000	1	127.3040	0.000	1	127.3040	0.000	1	127.6055	0.668	4	127.6055	0.668	4	127.6055	0.668	4
486	74	486	0:SP3_SP3_SP3	C[3,4]	N[4]	C[3]	4:4:4:3:	4:3:3:	4:4:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:C[3]-4:H-1:H-1:	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]Cl2)(H)2	C[3,4](C[3]C[3]Cl2)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|Cl<1>,4|H<1>}	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]Cl2)(H)2{1|C<3>,1|N<3>,2|H<1>}	128.5770	0.000	1	128.5770	0.000	1	128.2290	0.242	2	127.6055	0.668	4	127.6055	0.668	4	127.6055	0.668	4
486	74	486	0:SP3_SP3_SP3	C[3,4]	N[4]	C[3]	4:4:4:3:	4:3:3:	4:4:1:1:	C[3]-4:C[3]-4:C[4]-4:N[4]-3:	C[3,4]-4:N[4]-3:C-3:	C[3,4]-4:C[3]-4:H-1:H-1:	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C)	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO)	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]FF)(H)2	C[3,4](C[3]C[3]FF)(C[3]C[3]HH)(C[4]N[4]HH)(N[4]N[4]C){1|C<3>}	N[4](C[3,4]C[3]2C[4])(N[4]C[4]C)(COO){2|F<1>,4|H<1>}	C[3](C[3,4]C[3]C[4]N[4])(C[3]C[3,4]FF)(H)2{1|C<3>,1|N<3>,2|H<1>}	127.8810	0.000	1	127.8810	0.000	1	128.2290	0.242	2	127.6055	0.668	4	127.6055	0.668	4	127.6055	0.668	4
486	74	486	4:SP3_SP2_SP3	C[3,4]	N[4]	C[3,4]	4:3:3:1:	4:3:4:	4:3:3:1:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4]-4:C[4]-3:C-4:	C[3,4]-4:N[3]-3:C[4]-3:H-1:	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3)	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H)	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3){1|C<4>,1|H<1>}	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H){1|C<4>}	99.7771	0.000	1	99.7771	0.000	1	99.7771	0.000	1	99.7771	0.000	1	99.7771	0.000	1	99.7771	0.000	1
486	74	951	0:SP3_SP-NON_SP2	C[3,4]	N[4]	H	4:3:3:1:	4:3:4:	4:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4]-4:C[4]-3:C-4:	C[3,4]-4:	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3)	H(C[3,4]C[3,4]N[3]N[4])	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3){1|C<4>,1|H<1>}	H(C[3,4]C[3,4]N[3]N[4])	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1	104.2560	0.000	1
486	138	138	0:SP3_SP2_SP3	C[3,3]	N[3,6,6]	N[3]	7:3:3:2:	7:4:4:	7:4:4:	Nb[3,3,3x6]-7:N[3,6,6]-3:N[3]-3:O-2:	Nb[3,3,3x6]-7:C[3,3]-4:C[6,6]-4:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi)	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH)	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH){1|Si<4>,2|C<3>,3|C<4>}	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	119.6040	83.128	2
486	138	138	0:SP3_SP2_SP3	C[3,3]	N[3]	N[3,6]	4:3:3:4:	4:4:3:	4:4:3:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,3]-4:C[3]-4:N[5]-3:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	126.0510	0.000	1	126.0510	0.000	1	126.0510	0.000	1	126.0510	0.000	1	126.0510	0.000	1	119.6040	83.128	2
486	138	138	0:SP3_SP3_SP3	C[3,3]	N[3,6,6]	N[3]	7:3:3:2:	7:4:4:	7:4:4:	Nb[3,3,3x6]-7:N[3,6,6]-3:N[3]-3:O-2:	Nb[3,3,3x6]-7:C[3,3]-4:C[6,6]-4:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi)	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH)	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	C[3,3](Nb[3,3,3x6]N[3,6,6]N[3x6]N[6,6]N[3]ClN)(N[3,6,6]Nb[3,3,3x6]C[6,6])(N[3]Nb[3,3,3x6]C)(OSi){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[3,6,6](Nb[3,3,3x6]C[3,3]N[3x6]N[6,6]N[3]ClN)(C[3,3]Nb[3,3,3x6]N[3]O)(C[6,6]C[3x6]HH){1|Si<4>,2|C<3>,3|C<4>}	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	113.2070	0.360	3	113.2070	0.129	3	113.2070	0.129	3	113.2070	0.129	3	113.2070	0.129	3	113.6218	0.999	6
486	138	138	0:SP3_SP3_SP3	C[3,3]	N[3]	N[3]	8:3:3:3:	4:8:4:	4:8:4:	Nb[3,3]-8:N[3]-3:N[3]-3:C[6a]-3:	C[3,3]-4:Nb[3,3]-8:Si-4:	C[3,3]-4:Nb[3,3]-8:Si-4:	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2)	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3)	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3)	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2){2|C<3>,2|C<4>}	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3){1|Si<4>,2|C<3>}	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3){1|Si<4>,2|C<3>}	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	114.0367	1.852	3	113.6218	0.999	6
486	138	138	0:SP3_SP3_SP3	C[3,3]	N[3]	N[3]	8:3:3:3:	8:4:4:	8:4:4:	Nb[4x3]-8:N[3]-3:N[3]-3:C[6a]-3:	Nb[4x3]-8:C[3,3]-4:Si-4:	Nb[4x3]-8:C[3,3]-4:Si-4:	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2)	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3)	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3)	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2){2|Si<4>,2|H<1>,3|C<3>}	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3){3|Si<4>,3|C<3>}	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3){3|Si<4>,3|C<3>}	114.7540	0.785	2	114.7540	0.616	2	114.7540	0.616	2	114.7540	0.616	2	114.0367	1.852	3	113.6218	0.999	6
486	138	138	3:SP3_SP2_SP2	C[3]	N[3]	N[3]	3:3:3:3:	4:3:3:	4:3:3:	N[3]-3:N[3]-3:C[6a]-3:C-3:	C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO)	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2)	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO){2|H<1>,6|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	60.9541	0.000	1	60.9541	0.000	1	60.9541	0.000	1	60.9541	0.000	1	60.9541	0.000	1	60.9541	0.000	1
486	138	138	3:SP3_SP3_SP3	C[3]	N[3]	N[3]	3:3:1:1:	4:3:4:	4:3:4:	N[3]-3:N[3]-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:	C[3]-4:N[3]-3:C-4:	C[3](N[3]N[3]C)2(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	C[3](N[3]N[3]C)2(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	62.2349	0.000	1	62.2349	0.000	1	62.2349	0.000	1	62.2349	0.000	1	62.5327	0.035	5	62.5327	0.035	5
486	138	138	3:SP3_SP3_SP3	C[3]	N[3]	N[3]	3:3:3:4:	4:3:4:	4:3:1:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H)	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H){2|C<3>}	62.6008	0.000	1	62.6008	0.000	1	62.6008	0.000	1	62.6008	0.000	1	62.5327	0.035	5	62.5327	0.035	5
486	138	138	3:SP3_SP3_SP3	C[3]	N[3]	N[3]	3:3:3:4:	4:4:3:	4:3:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[4]-4:N[3]-3:	C[3]-4:N[3]-3:H-1:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H)	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H){1|O<2>,2|C<3>,4|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H){2|C<3>,3|C<4>}	62.5630	0.130	2	62.5630	0.017	2	62.5630	0.017	2	62.6093	0.015	3	62.5327	0.035	5	62.5327	0.035	5
486	138	138	3:SP3_SP3_SP3	C[3]	N[3]	N[3]	3:3:3:4:	4:4:3:	4:3:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[6]-4:N[3]-3:	C[3]-4:N[3]-3:H-1:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H)	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H){2|C<3>,2|C<4>,4|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	62.7019	0.000	1	62.7019	0.000	1	62.7019	0.000	1	62.6093	0.015	3	62.5327	0.035	5	62.5327	0.035	5
486	138	362	3:SP3_SP3_SPD6	C[3,3]	N[3]	C[3,3]	6:3:2:1:	6:4:4:	4:3:2:1:1:1:	C[3,3]-6:N[3]-3:H[3]-2:O-1:	C[3,3]-6:C[3,3]-4:C-4:	C[3,3]-4:N[3]-3:H[3]-2:H-1:H-1:H-1:	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	C[3,3](C[3,3]H[3]N[3]H3)(N[3]C[3,3]C)(H[3]C[3,3])(O)	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	C[3,3](C[3,3]H[3]N[3]O)(N[3]C[3,3]C)(H[3]C[3,3])(H)3	72.6645	0.000	1	72.6645	0.000	1	72.6645	0.000	1	72.6645	0.000	1	72.6645	0.000	1	72.6645	0.000	1
486	138	466	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:3:	3:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	117.5470	0.000	1	117.5470	0.000	1	116.7920	1.140	2	116.7920	1.140	2	116.7920	1.140	2	116.7920	1.140	2
486	138	466	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:3:	3:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.0370	0.000	1	116.0370	0.000	1	116.7920	1.140	2	116.7920	1.140	2	116.7920	1.140	2	116.7920	1.140	2
486	138	466	0:SP3_SP3_SP3	C[3,5,6]	N[3,5]	C[6]	3:4:3:4:	4:4:4:	4:4:1:1:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[6,6]	4:3:4:1:	4:4:3:	4:4:1:1:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[6]	4:3:4:3:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:4:1:1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:S-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	119.2955	0.670	2	119.2955	0.448	2	119.2955	0.448	2	115.7540	16.892	4	115.7540	16.892	4	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:4:1:1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:S-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO){4|C<4>,8|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	112.2125	0.240	2	112.2125	0.057	2	112.2125	0.057	2	115.7540	16.892	4	115.7540	16.892	4	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3,5]	C[6]	4:3:4:1:	4:4:3:	4:2:2:1:	C[3,5,6]-4:N[3,5]-3:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6]-4:O[6]-2:O-2:H-1:	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	122.4915	1.160	2	122.4915	1.346	2	122.4915	1.346	2	122.4915	1.346	2	122.4915	1.346	2	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	4:3:4:1:	4:4:4:	4:2:1:1:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	3:5:4:4:	4:5:4:	4:4:1:1:	N[3]-3:Nb[3]-5:C[6]-4:C[6]-4:	C[3,6]-4:Nb[3]-5:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2	N[3](C[3,6]Nb[3]C[6]2)(Nb[3]C[3,6]HNN)(C[6]C[6]2H)	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	N[3](C[3,6]Nb[3]C[6]2)(Nb[3]C[3,6]HNN)(C[6]C[6]2H){4|C<4>,8|H<1>}	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	118.0680	2.277	2	118.0680	5.184	2	118.0680	5.184	2	118.0680	5.184	2	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:3:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	115.0075	0.162	2	115.0075	0.026	2	115.5030	0.750	3	115.5030	0.750	3	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	116.4940	0.000	1	116.4940	0.000	1	115.5030	0.750	3	115.5030	0.750	3	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:3:2:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[6]-3:C-2:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	116.0040	0.000	1	116.0040	0.000	1	116.0040	0.000	1	115.2791	0.401	7	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	114.7400	0.750	2	114.7400	0.562	2	115.1583	0.358	6	115.2791	0.401	7	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	115.2455	0.357	2	115.2455	0.128	2	115.1583	0.358	6	115.2791	0.401	7	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	115.4895	0.719	2	115.4895	0.517	2	115.1583	0.358	6	115.2791	0.401	7	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:1:	4:4:4:	4:4:4:2:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:4:	4:4:1:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:3:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	110.4080	0.000	1	111.0380	0.353	3	111.0380	0.353	3	111.0380	0.353	3	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:3:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	111.3530	0.334	2	111.0380	0.353	3	111.0380	0.353	3	111.0380	0.353	3	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	111.4850	0.000	1	111.4850	0.000	1	111.0905	0.311	2	111.0905	0.311	2	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:3:4:4:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	110.6960	0.000	1	110.6960	0.000	1	111.0905	0.311	2	111.0905	0.311	2	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:1:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H){1|C<4>,2|H<1>,2|O<2>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	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>}	116.3865	1.785	4	116.3865	3.188	4	116.3865	3.188	4	116.3865	3.188	4	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	113.8660	0.000	1	113.8660	0.000	1	113.8660	0.000	1	113.8660	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	114.9725	0.115	2	114.9725	0.013	2	114.9725	0.013	2	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	114.9475	0.145	2	114.9475	0.021	2	114.9475	0.021	2	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	117.7860	0.287	2	117.7860	0.082	2	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	116.0670	2.225	2	115.4320	3.684	3	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>}	114.1620	0.000	1	115.4320	3.684	3	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	115.1460	0.000	1	116.0116	0.344	5	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	116.2280	0.382	4	116.0116	0.344	5	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	114.3135	0.407	2	114.4207	0.117	3	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	114.6350	0.000	1	114.4207	0.117	3	115.7837	1.940	13	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	115.3080	0.000	1	115.3080	0.000	1	114.5795	1.061	2	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	113.8510	0.000	1	113.8510	0.000	1	114.5795	1.061	2	115.4835	1.571	19	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	115.7980	0.000	1	115.7980	0.000	1	115.7980	0.000	1	115.7980	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:2:	4:4:1:	3:4:3:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	115.9175	0.103	2	115.9175	0.011	2	115.9175	0.011	2	115.9175	0.011	2	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:2:	4:4:1:	3:4:4:1:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:2:	4:4:1:	4:3:3:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:3:	4:4:1:	4:3:3:1:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:4:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	111.8760	0.000	1	111.8760	0.000	1	112.5350	0.430	5	112.5350	0.430	5	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:4:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	112.4880	0.858	2	112.6997	0.393	4	112.5350	0.430	5	112.5350	0.430	5	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3,6]	N[3]	C[6]	4:4:3:4:	4:4:4:	4:4:1:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	112.9115	0.511	2	112.6997	0.393	4	112.5350	0.430	5	112.5350	0.430	5	114.9921	4.704	57	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3]	N[3]	C[6]	4:4:3:1:	4:4:4:	4:4:2:1:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO)	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	111.2157	1.047	3	115.2319	7.337	70
486	138	466	0:SP3_SP3_SP3	C[3]	N[3]	C[6]	4:4:3:4:	4:4:4:	4:4:4:1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	110.6250	0.028	2	110.6250	0.001	2	110.6250	0.001	2	110.6250	0.001	2	111.2157	1.047	3	115.2319	7.337	70
486	138	466	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[5,6]-3:C-3:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	115.8490	10.493	3	115.5955	7.252	4	115.5955	7.252	4
486	138	466	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[6]-3:C-3:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	113.0390	0.000	1	113.0390	0.000	1	114.0775	2.157	2	115.8490	10.493	3	115.5955	7.252	4	115.5955	7.252	4
486	138	466	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[6]-3:C-3:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	115.1160	0.000	1	115.1160	0.000	1	114.0775	2.157	2	115.8490	10.493	3	115.5955	7.252	4	115.5955	7.252	4
486	138	466	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6]	4:3:4:1:	4:4:3:	4:4:4:4:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	115.5955	7.252	4	115.5955	7.252	4
486	138	466	6:SP3_SP3_SP3	C[3,3x6]	N[3,6]	C[6]	4:3:4:4:	4:4:3:	4:4:1:1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[6,6]	3:4:4:3:	4:4:4:	4:4:3:1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[3]-4:Si[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	3:4:3:4:	4:4:4:	4:4:1:1:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC)	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	117.7050	0.544	2	117.7050	0.296	2	117.7050	0.296	2	117.7050	0.296	2	119.7247	2.285	7	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[5,6]-3:C-3:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	119.7247	2.285	7	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	4:3:4:1:	4:4:4:	4:2:4:2:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:O[6]-2:C-4:O-2:	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	120.6275	0.697	2	120.6275	0.485	2	120.6275	0.485	2	120.6275	0.485	2	119.7247	2.285	7	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	4:3:4:1:	4:4:4:	4:3:2:1:	C[6]-4:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH)	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H){1|C<4>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	119.7247	2.285	7	118.6373	7.863	9
486	138	466	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[6]	4:3:4:3:	4:4:4:	4:3:3:1:	C[6]-4:N[3,6]-3:C[3]-4:C-3:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO)	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH)	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO){2|H<1>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH){2|H<1>,4|C<3>}	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	119.7247	2.285	7	118.6373	7.863	9
486	138	474	0:SP3_SP3_SP3	C[3,5,6]	N[3]	C[5,5,6]	4:4:3:1:	4:4:4:	3:4:2:1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	113.0025	0.045	2	113.0025	0.002	2	113.0025	0.002	2	113.0025	0.002	2	114.3423	1.283	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5,6]	N[3]	C[5,5,6]	4:4:3:1:	4:4:4:	4:4:4:1:	C[3,5,6]-4:C[5,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H){1|C<4>,5|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	115.1060	0.877	2	115.1060	0.769	2	115.1060	0.769	2	115.0122	0.342	4	114.3423	1.283	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5,6]	N[3]	C[5,5,6]	4:4:3:1:	4:4:4:	4:4:4:1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	114.9185	0.470	2	114.9185	0.221	2	114.9185	0.221	2	115.0122	0.342	4	114.3423	1.283	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5,5]	4:4:3:1:	4:4:4:	4:3:3:2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	113.5982	0.540	4	113.5982	0.292	4	113.6118	0.220	5	113.6118	0.220	5	113.6920	0.214	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5,5]	4:4:3:1:	4:4:4:	4:3:3:2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	113.6660	0.000	1	113.6660	0.000	1	113.6118	0.220	5	113.6118	0.220	5	113.6920	0.214	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5,5]	4:4:3:1:	4:4:4:	4:3:4:2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	113.6920	0.214	6	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:3:4:1:	4:4:4:	4:2:1:1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|O<2>,4|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	110.7710	0.581	2	110.7710	0.338	2	110.7710	0.338	2	110.7710	0.338	2	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:3:4:3:	4:4:1:	4:3:1:1:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:1:	4:4:4:	3:4:1:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.8732	0.456	4	111.8732	0.208	4	111.9722	0.480	6	111.9722	0.480	6	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:1:	4:4:4:	3:4:1:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0810	0.000	1	112.1700	1.660	2	111.9722	0.480	6	111.9722	0.480	6	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:1:	4:4:4:	3:4:1:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.2590	0.000	1	112.1700	1.660	2	111.9722	0.480	6	111.9722	0.480	6	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:1:	4:4:4:	4:4:1:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|Si<4>,4|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	112.6347	0.414	6	112.6347	0.172	6	112.6347	0.172	6	112.6347	0.172	6	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:3:	4:4:3:	4:3:1:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:3:3:	4:4:4:	3:4:1:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:4:3:	4:4:4:	4:3:1:1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[3,5]-4:C[3]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,5]	N[3]	C[5]	4:4:4:3:	4:4:4:	4:3:4:1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[3,5]-4:C[3]-4:S-4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	117.6100	0.000	1	117.6100	0.000	1	117.6100	0.000	1	117.6100	0.000	1	113.4541	9.032	20	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3,6]	N[3]	C[5,6]	4:4:3:1:	4:4:1:	4:2:2:1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	116.7152	1.498	4	116.7152	2.243	4	116.7152	2.243	4	116.7152	2.243	4	116.7152	2.243	4	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3]	N[3]	C[5]	4:4:3:1:	4:4:1:	3:4:2:1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	N[3,5]-3:C[3]-4:O[5]-2:H-1:	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.9910	0.100	2	114.1087	6.220	38
486	138	474	0:SP3_SP3_SP3	C[3]	N[3]	C[5]	4:4:3:1:	4:4:4:	4:4:4:1:	C[3]-4:C[5]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H)	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	116.2150	0.000	1	116.2150	0.000	1	116.2150	0.000	1	116.2150	0.000	1	115.9910	0.100	2	114.1087	6.220	38
486	138	474	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5]	3:4:4:1:	4:4:3:	4:4:1:1:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1
486	138	474	5:SP3_SP3_SP3	C[3,5,6]	N[3,5]	C[5,6]	4:3:4:1:	4:4:3:	4:4:2:1:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	105.9800	0.062	2	105.9800	0.004	2	105.9800	0.004	2	105.9800	0.004	2	105.9800	0.004	2	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5,5]	4:3:4:4:	4:4:4:	3:4:3:3:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	109.2480	10.970	2	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	109.2480	10.970	2	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5,6]	4:4:3:3:	4:4:4:	4:4:3:3:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:C[6]-4:N[5,6]-3:C-3:	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO){1|H<1>,5|C<3>}	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	3:3:4:1:	4:3:3:	4:4:2:1:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-3:C[5]-3:	C[3,5]-4:C-4:O[5]-2:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H){1|O<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C)(C[5]O[5]O){1|C<4>,1|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	3:4:3:4:	4:4:4:	4:3:4:3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|C<4>,1|H<1>,5|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO){3|C<3>,3|H<1>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	3:4:3:4:	4:4:4:	4:4:1:1:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	3:4:4:1:	4:4:3:	4:4:1:1:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	3:4:4:4:	4:3:4:	4:3:1:1:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	C[3,5]-4:C[5,6a]-3:Si[3,5]-4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH)	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2)	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH){4|Si<4>,2|C<3>,2|C<4>}	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|C<4>}	103.8935	1.809	2	103.8935	3.274	2	103.8935	3.274	2	103.8935	3.274	2	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:3:4:	4:4:4:	4:3:4:3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	106.7670	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:1:	4:4:4:	4:2:2:1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:C[5]-4:F-1:F-1:	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2{2|C<3>,2|C<4>}	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:3:	4:4:4:	4:3:1:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	108.8600	0.141	2	108.8600	0.020	2	108.8600	0.020	2	108.8600	0.020	2	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:3:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[4,5]-4:C[3]-4:C[3,5]-4:	C[3,5]-4:N[4,5]-3:C-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	108.7150	2.269	3	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:3:	4:4:4:	4:3:3:1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	108.5690	0.000	1	107.9280	0.822	2	107.9280	0.822	2	108.7150	2.269	3	108.1798	5.309	15	107.9699	5.270	20
486	138	474	5:SP3_SP3_SP3	C[3,5]	N[3,5]	C[5]	4:3:4:3:	4:4:4:	4:3:3:1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	107.2870	0.000	1	107.9280	0.822	2	107.9280	0.822	2	108.7150	2.269	3	108.1798	5.309	15	107.9699	5.270	20
486	138	474	6:SP3_SP3_SP3	C[3,5,6]	N[3,6]	C[5,6]	4:3:4:1:	4:4:4:	4:4:2:1:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1
486	138	478	0:SP3_SP3_SP3	C[3,3x6]	N[3,6]	C[4,6,6]	4:3:4:4:	4:4:3:	4:4:4:1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	C[4,6,6](C[3,3x6]C[3,6,6]N[3,6]C[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	C[4,6,6](C[3,3x6]C[3,6,6]N[3,6]C[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1
486	138	478	4:SP3_SP3_SP3	C[3,4,5]	N[3,4,4]	C[4,5,6]	3:4:4:3:	4:4:4:	4:4:4:1:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	C[3,4,5]-4:C[4,4,5,6]-4:C[6]-4:H-1:	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H)	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	93.5451	0.000	1	93.5451	0.000	1	93.5451	0.000	1	93.5451	0.000	1	93.5451	0.000	1	93.5451	0.000	1
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3,6]	C[3]	4:3:3:4:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	133.9320	0.000	1	133.9320	0.000	1	133.9320	0.000	1	133.9320	0.000	1	133.9320	0.000	1	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	6:4:3:4:	6:4:3:	6:4:4:1:	Nb[3x3,5]-6:C[3,3]-4:N[3]-3:C-4:	Nb[3x3,5]-6:C[3,3]-4:C[6a]-3:	Nb[3x3,5]-6:C[3,5]-4:C[3,3]-4:H-1:	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,5]H)(N[3]Nb[3x3,5]C[6a])(CH3)	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2)	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,5]Nb[3x3,5]C[5,5,6]C)(C[3,3]Nb[3x3,5]N[3]C)(H)	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,5]H)(N[3]Nb[3x3,5]C[6a])(CH3){2|C<3>,4|C<4>}	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,5]Nb[3x3,5]C[5,5,6]C)(C[3,3]Nb[3x3,5]N[3]C)(H){1|C<3>,1|H<1>,3|C<4>}	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	7:4:3:1:	7:4:3:	7:4:3:1:	Nb[3x3]-7:C[3,3]-4:N[3]-3:H-1:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	Nb[3x3]-7:C[3,3]-4:N[3]-3:H-1:	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H)	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2)	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H)	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H){3|C<3>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]H)(N[3]Nb[3x3]C[6a])(H){3|C<3>}	118.6710	0.376	2	118.6710	0.142	2	118.6710	0.142	2	118.6710	0.142	2	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	7:4:3:4:	7:4:3:	7:4:3:4:	Nb[3x3]-7:C[3,3]-4:N[3]-3:C-4:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	Nb[3x3]-7:C[3,3]-4:N[3]-3:C-4:	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3)	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2)	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3)	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3){3|C<3>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3){3|C<3>}	118.1605	0.146	2	118.1605	0.021	2	118.1605	0.021	2	118.1605	0.021	2	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	7:4:3:4:	7:4:3:	7:4:4:1:	Nb[4x3,4]-7:C[3,3]-4:N[3]-3:C-4:	Nb[4x3,4]-7:C[3,3]-4:C[6a]-3:	Nb[4x3,4]-7:C[3,3]-4:C[3,3]-4:H-1:	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]H)(N[3]Nb[4x3,4]C[6a])(CH3)	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2)	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,4]C)(C[3,3]Nb[4x3,4]N[3]C)(H)	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]H)(N[3]Nb[4x3,4]C[6a])(CH3){1|C<4>,5|C<3>}	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,4]C)(C[3,3]Nb[4x3,4]N[3]C)(H){4|C<3>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	8:4:3:4:	4:8:3:	8:4:4:1:	Nb[6x3]-8:C[3,3]-4:N[3]-3:C-4:	C[3,3]-4:Nb[6x3]-8:C[6a]-3:	Nb[6x3]-8:C[3,3]-4:C[3,3]-4:H-1:	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]H)(N[3]Nb[6x3]C[6a])(CH3)	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2)	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(C[3,3]Nb[6x3]N[3]C)(H)	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]H)(N[3]Nb[6x3]C[6a])(CH3){2|C<3>,4|C<4>}	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(C[3,3]Nb[6x3]N[3]C)(H){1|C<3>,3|C<4>}	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP2_SP3	C[3,3]	N[3]	C[3,3]	8:4:3:4:	8:4:3:	8:4:4:1:	Nb[5x3]-8:C[3,3]-4:N[3]-3:C-4:	Nb[5x3]-8:C[3,3]-4:C[6a]-3:	Nb[5x3]-8:C[3,3]-4:C[3,3]-4:H-1:	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]C[3,3]H)(N[3]Nb[5x3]C[6a])(CH3)	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2)	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]N[3]C)2(H)	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]C[3,3]H)(N[3]Nb[5x3]C[6a])(CH3){2|H<1>,3|C<3>,3|C<4>}	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|H<1>,5|C<4>}	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]N[3]C)2(H){2|C<3>,2|C<4>,2|H<1>}	121.9765	0.063	2	121.9765	0.004	2	121.9765	0.004	2	121.9765	0.004	2	119.8414	2.320	9	121.2505	21.916	10
486	138	486	0:SP3_SP3_SP3	C[3,3]	N[3]	C[3,3]	8:4:3:4:	4:8:4:	8:4:4:4:	Nb[6x3]-8:C[3,3]-4:N[3]-3:C-4:	C[3,3]-4:Nb[6x3]-8:C-4:	Nb[6x3]-8:C[3,3]-4:C[3,3]-4:C-4:	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(N[3]Nb[6x3]C)(CCHH)	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3)	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(C[3,3]Nb[6x3]N[3]C)(CCHH)	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(N[3]Nb[6x3]C)(CCHH){1|C<3>,1|H<1>,2|C<4>}	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3){1|C<3>,1|H<1>,3|C<4>}	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(C[3,3]Nb[6x3]N[3]C)(CCHH){1|C<3>,1|H<1>,2|C<4>}	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	120.6803	71.628	4
486	138	486	0:SP3_SP3_SP3	C[3,3]	N[3]	C[3,6]	4:3:3:4:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,3]-4:C[3]-4:N[5]-3:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	133.2490	0.000	1	133.2490	0.000	1	133.2490	0.000	1	133.2490	0.000	1	133.2490	0.000	1	120.6803	71.628	4
486	138	486	0:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|S<4>,2|H<1>}	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>}	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|S<4>,2|H<1>}	115.6650	0.402	2	115.6650	0.161	2	115.6650	0.161	2	115.6650	0.161	2	115.6650	0.161	2	120.6803	71.628	4
486	138	486	3:SP3_SP2_SP3	C[3,3]	N[3,6]	C[3,6]	4:3:3:4:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	62.1038	0.000	1	62.1038	0.000	1	62.1038	0.000	1	62.1038	0.000	1	62.1038	0.000	1	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,5]	N[3,5]	C[3]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	61.7526	0.000	1	61.7526	0.000	1	61.7526	0.000	1	61.7526	0.000	1	61.7526	0.000	1	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,6]	N[3,6]	C[3,3]	4:3:4:1:	4:4:3:	4:3:3:4:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	57.7015	0.000	1	57.7015	0.000	1	57.7015	0.000	1	57.7015	0.000	1	57.7015	0.000	1	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,6]	N[3,6]	C[3]	3:4:4:1:	4:4:3:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.4929	0.000	1	59.3164	0.062	2	59.3164	0.062	2	59.3164	0.062	2	59.4728	0.105	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,6]	N[3,6]	C[3]	3:4:4:1:	4:4:3:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.1399	0.000	1	59.3164	0.062	2	59.3164	0.062	2	59.3164	0.062	2	59.4728	0.105	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,6]	N[3,6]	C[3]	3:4:4:1:	4:4:3:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.7857	0.000	1	59.7857	0.000	1	59.7857	0.000	1	59.7857	0.000	1	59.4728	0.105	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C[6a])(C[6]C[6,6a]HH)(H){2|H<1>,4|C<3>}	59.8126	0.529	2	59.8126	0.280	2	59.8126	0.280	2	59.8126	0.280	2	59.8126	0.280	2	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:3:	3:4:4:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	59.2919	0.000	1	59.2919	0.000	1	59.2919	0.000	1	59.2919	0.000	1	59.2919	0.000	1	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:4:3:	3:4:4:1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	59.0937	0.000	1	59.3687	0.151	2	59.3687	0.151	2	59.3687	0.151	2	59.4854	0.116	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:4:3:	3:4:4:1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6]N[6]CH)(H){1|O<1>,2|C<4>}	59.6438	0.000	1	59.3687	0.151	2	59.3687	0.151	2	59.3687	0.151	2	59.4854	0.116	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3,6]	C[3,6]	4:3:4:1:	4:4:3:	3:4:4:1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	59.7188	0.000	1	59.7188	0.000	1	59.7188	0.000	1	59.7188	0.000	1	59.4854	0.116	3	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:3:1:	3:4:4:	3:4:4:1:	N[3]-3:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	59.1258	0.000	1	59.1258	0.000	1	59.1258	0.000	1	59.1258	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H){2|C<3>}	58.5913	0.000	1	58.5913	0.000	1	58.5913	0.000	1	58.5913	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	4:3:3:4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-3:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	58.1729	0.000	1	58.1729	0.000	1	58.1729	0.000	1	58.1729	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:3:3:	4:4:3:	4:3:3:1:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	58.3602	0.000	1	58.3602	0.000	1	58.3602	0.000	1	58.3602	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:3:4:	4:4:3:	4:3:1:1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	56.9733	0.000	1	56.9733	0.000	1	56.9733	0.000	1	56.9733	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	3:4:4:1:	3:4:4:	3:4:3:1:	N[3]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-3:H-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CC[6a]O)(H){2|C<3>}	58.9750	0.000	1	58.9750	0.000	1	58.9750	0.000	1	58.9750	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	3:4:3:4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	60.9723	0.000	1	60.9723	0.000	1	60.9723	0.000	1	60.9723	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	59.1642	0.736	2	59.1642	0.542	2	59.1642	0.542	2	59.1642	0.542	2	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:1:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)2(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(H){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	59.1606	0.182	2	59.1606	0.033	2	59.1606	0.033	2	59.1606	0.033	2	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CNO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	57.9197	0.000	1	57.9197	0.000	1	57.9197	0.000	1	57.9197	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	3:4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	58.8318	0.000	1	58.8318	0.000	1	58.8318	0.000	1	58.8318	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	60.0206	0.000	1	59.3979	0.776	2	59.3979	0.776	2	59.3979	0.776	2	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	58.7751	0.000	1	59.3979	0.776	2	59.3979	0.776	2	59.3979	0.776	2	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	61.7736	0.000	1	61.7736	0.000	1	61.7736	0.000	1	61.7736	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:4:	4:4:3:	3:4:3:1:	C[3]-4:N[3]-3:C-3:C-4:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	57.5473	0.000	1	57.5473	0.000	1	57.5473	0.000	1	57.5473	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP2_SP3	C[3]	N[3]	C[3]	4:3:3:4:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	56.8128	0.000	1	56.8128	0.000	1	56.8128	0.000	1	56.8128	0.000	1	58.8612	1.558	18	59.2284	1.644	30
486	138	486	3:SP3_SP3_SP3	C[3,3]	N[3]	C[3]	4:3:3:4:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3,3]-4:C[3]-4:N[5]-3:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	63.1111	0.000	1	63.1111	0.000	1	63.1111	0.000	1	63.1111	0.000	1	63.1111	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,3x6]	N[3,6]	C[3,6,6]	4:3:4:4:	4:4:3:	4:3:4:1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	59.8757	0.000	1	59.8757	0.000	1	59.8757	0.000	1	59.8757	0.000	1	59.8757	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,4,5]	N[3,4,4]	C[3,4,5]	3:4:4:3:	4:4:4:	4:3:3:1:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	C[3,4,5]-4:N[3,4,4]-3:C[4,5]-3:H-1:	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H)	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	61.9916	0.000	1	61.9916	0.000	1	61.9916	0.000	1	61.9916	0.000	1	60.5570	4.116	2	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,4,5]	N[3,4,4]	C[3,4,5]	4:3:3:1:	4:4:4:	3:4:4:3:	C[3,4,5]-4:N[3,4,4]-3:C[4,5]-3:H-1:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	C[3,4,5](C[3,4,5]C[4,5,6]N[3,4,4]C[6a])(N[3,4,4]C[4,4,5,6]C[3,4,5])(C[4,5]C[4,4,5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	59.1223	0.000	1	59.1223	0.000	1	59.1223	0.000	1	59.1223	0.000	1	60.5570	4.116	2	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,4]	N[3]	C[3,4]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3,4]-4:N[3]-3:C[4]-3:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H){1|C<4>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	52.9306	0.000	1	52.9306	0.000	1	52.9306	0.000	1	53.7608	1.378	2	53.7608	1.378	2	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,4]	N[3]	C[3,4]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3,4]-4:N[3]-3:N[4]-3:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C[3,4]-4:N[3]-3:C[4]-3:H-1:	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H)	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H)	C[3,4](C[3,4]C[4]N[3]H)(N[3]C[3,4]C)(N[4]C[4]C)(H){1|H<1>}	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	C[3,4](C[3,4]N[3]N[4]H)(N[3]C[3,4]C)(C[4]N[4]H)(H){1|C<4>}	54.5909	0.000	1	54.5909	0.000	1	54.5909	0.000	1	53.7608	1.378	2	53.7608	1.378	2	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3,5]	C[3,6]	3:4:3:4:	4:4:4:	4:3:3:1:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	61.2465	0.000	1	61.2465	0.000	1	61.2465	0.000	1	61.2465	0.000	1	61.1709	0.017	3	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3,5]	C[3,6]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6]-4:N[3,5]-3:C[6]-4:H-1:	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	61.1332	0.158	2	61.1332	0.025	2	61.1332	0.025	2	61.1332	0.025	2	61.1709	0.017	3	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3,6]	C[3,5]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5,6]-4:N[3,6]-3:C[5]-3:H-1:	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	59.7554	0.000	1	59.7554	0.000	1	59.7554	0.000	1	59.7554	0.000	1	59.7554	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3]	C[3,5,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,5,6]-4:C[5,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[3,5,6]-4:C[5,5,6]-4:N[3]-3:H-1:	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H)	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H){1|C<4>,5|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H){1|C<4>,5|H<1>}	60.8308	0.274	2	60.8308	0.075	2	60.8308	0.075	2	60.6225	0.090	6	60.6225	0.090	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3]	C[3,5,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){2|H<1>,3|C<4>}	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	60.3558	0.057	2	60.3558	0.003	2	60.5184	0.082	4	60.6225	0.090	6	60.6225	0.090	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5,6]	N[3]	C[3,5,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:S-4:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	N[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	60.6810	0.370	2	60.6810	0.137	2	60.5184	0.082	4	60.6225	0.090	6	60.6225	0.090	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:3:4:3:	4:4:4:	4:3:3:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H){2|C<3>,2|O<1>}	59.0312	0.771	2	59.0312	0.594	2	59.0312	0.594	2	58.9872	0.303	3	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:3:4:3:	4:4:4:	4:3:3:1:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:C-3:I-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I){2|C<3>,2|O<1>}	58.8993	0.000	1	58.8993	0.000	1	58.8993	0.000	1	58.9872	0.303	3	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:4:3:1:	4:4:4:	4:3:3:1:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	60.1170	0.000	1	60.1170	0.000	1	60.1170	0.000	1	60.1170	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:4:3:3:	4:3:4:	4:3:3:1:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	59.8088	0.000	1	59.8088	0.000	1	59.8088	0.000	1	59.8088	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:4:3:4:	4:4:4:	4:3:1:1:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|C<4>,1|H<1>,5|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	59.8704	0.000	1	59.8704	0.000	1	59.8704	0.000	1	59.8704	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:4:3:4:	4:4:4:	4:3:3:1:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H)	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	60.5487	0.000	1	60.5487	0.000	1	60.5487	0.000	1	60.5487	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	3:4:4:1:	4:4:3:	4:3:3:1:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	61.6461	0.000	1	61.6461	0.000	1	61.6461	0.000	1	61.6461	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	59.3464	0.262	4	59.3464	0.069	4	59.3464	0.069	4	59.3464	0.069	4	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:3:2:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	58.1515	0.000	1	58.1515	0.000	1	58.1515	0.000	1	58.1515	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:3:4:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	59.4098	0.000	1	59.4098	0.000	1	59.4098	0.000	1	59.4098	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	60.4966	0.000	1	60.4966	0.000	1	60.3335	0.053	2	60.3335	0.053	2	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	60.1704	0.000	1	60.1704	0.000	1	60.3335	0.053	2	60.3335	0.053	2	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:1:	4:4:4:	4:3:3:4:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	61.7315	0.000	1	61.7315	0.000	1	61.7315	0.000	1	61.7315	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:3:	4:4:4:	3:4:3:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[4,5]-4:C[3]-4:C[3,5]-4:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	58.8036	0.000	1	58.8036	0.000	1	58.8036	0.000	1	58.8036	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:3:	4:4:4:	4:3:1:1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|N<3>,2|H<1>,4|C<3>}	59.5722	0.513	2	59.5722	0.263	2	59.5722	0.263	2	59.5722	0.263	2	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:3:	4:4:4:	4:3:3:1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	59.5545	0.003	2	59.5545	0.000	2	59.5545	0.000	2	59.5545	0.000	2	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:3:4:4:	4:4:4:	4:3:3:1:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<3>}	59.9582	0.000	1	59.9582	0.000	1	59.9582	0.000	1	59.9582	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:3:1:	4:4:4:	4:3:3:1:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	60.0049	0.000	1	60.0049	0.000	1	60.0049	0.000	1	60.0049	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,5]	C[3]	4:4:3:3:	4:4:4:	4:3:3:1:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	60.1228	0.000	1	60.1228	0.000	1	60.1228	0.000	1	60.1228	0.000	1	59.7376	0.686	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3,6]	C[3,5,6]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,5,6]-4:N[3,6]-3:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	60.1329	0.000	1	60.1329	0.000	1	60.1329	0.000	1	60.1329	0.000	1	60.1329	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:1:	4:4:3:	4:3:3:3:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	58.7593	0.434	2	58.7593	0.188	2	58.7593	0.188	2	58.7593	0.188	2	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	58.4233	0.000	1	58.4233	0.000	1	58.4233	0.000	1	58.4233	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:2:	4:4:1:	4:3:4:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	60.9374	0.000	1	60.9374	0.000	1	60.9374	0.000	1	60.9374	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:3:	4:4:1:	4:3:3:4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	59.4168	0.000	1	59.4168	0.000	1	59.4168	0.000	1	59.4168	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:3:	4:4:3:	4:3:3:1:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	59.0248	0.288	2	59.0248	0.083	2	59.0248	0.083	2	59.0248	0.083	2	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:3:4:	4:4:1:	4:3:3:3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	58.5019	0.000	1	58.5019	0.000	1	58.5019	0.000	1	58.5019	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	60.8389	0.000	1	60.8389	0.000	1	60.8389	0.000	1	60.8389	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|O<2>,4|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	60.6975	0.603	2	60.6975	0.364	2	60.6975	0.364	2	60.6975	0.364	2	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:3:4:3:	4:4:1:	4:3:3:2:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	57.8923	0.000	1	57.8923	0.000	1	57.8923	0.000	1	57.8923	0.000	1	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	59.2077	0.166	4	59.2077	0.028	4	59.2542	0.090	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	58.9333	0.000	1	59.3472	0.343	2	59.2542	0.090	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	59.7611	0.000	1	59.3472	0.343	2	59.2542	0.090	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:S-4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO)	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(SC[6a]OO){1|Si<4>,4|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	59.9909	0.186	6	59.9909	0.035	6	59.9909	0.035	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	59.7043	0.152	4	59.7043	0.023	4	59.6982	0.018	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	59.7860	0.000	1	59.6860	0.020	2	59.6982	0.018	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3,5]	4:4:3:1:	4:4:4:	4:4:3:1:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	59.5860	0.000	1	59.6860	0.020	2	59.6982	0.018	6	59.6478	0.139	18	59.5544	0.563	30	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3]	3:4:3:3:	4:4:3:	4:3:1:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:S-3:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO){1|N<3>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2{1|N<3>,1|O<1>,2|C<3>}	58.8074	0.000	1	58.8074	0.000	1	58.8074	0.000	1	58.8074	0.000	1	58.4677	0.773	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3]	3:4:3:3:	4:4:3:	4:3:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:C-3:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	57.7792	0.239	2	57.7792	0.057	2	57.7792	0.057	2	57.7792	0.057	2	58.4677	0.773	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3]	4:4:3:3:	4:4:3:	4:3:3:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	58.2696	0.000	1	58.2696	0.000	1	58.2696	0.000	1	58.2696	0.000	1	58.4677	0.773	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3]	4:4:3:3:	4:4:4:	4:3:3:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-4:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	58.0996	0.000	1	58.0996	0.000	1	58.0996	0.000	1	58.0996	0.000	1	58.4677	0.773	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,5]	N[3]	C[3]	4:4:4:3:	4:4:4:	4:3:1:1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[3,5]-4:C[3]-4:S-4:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO)	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	60.0712	0.000	1	60.0712	0.000	1	60.0712	0.000	1	60.0712	0.000	1	58.4677	0.773	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[3,3x6]	4:3:4:1:	4:4:3:	4:3:4:4:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	59.6825	0.000	1	59.6825	0.000	1	59.6825	0.000	1	59.6825	0.000	1	59.6825	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[3,6]	4:3:4:3:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	58.7226	0.000	1	58.7226	0.000	1	58.7226	0.000	1	58.7226	0.000	1	58.7226	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6,6]	N[3,6]	C[3]	3:4:4:3:	4:4:4:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[3]-4:Si[6]-4:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	58.1068	0.000	1	58.1068	0.000	1	58.1068	0.000	1	58.1068	0.000	1	58.1068	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6,6]	N[3]	C[3,6,6]	4:3:4:4:	4:4:4:	4:3:4:4:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:S-4:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO)	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	N[3](C[3,6,6]C[3,6,6]C[6]2)2(SC[6a]OO){4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	59.6333	0.067	2	59.6333	0.005	2	59.6333	0.005	2	59.6333	0.005	2	59.6333	0.005	2	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,5]	C[3,5,6]	4:3:3:1:	4:4:4:	3:4:3:4:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	58.9728	0.000	1	58.9728	0.000	1	58.9728	0.000	1	58.9728	0.000	1	59.3830	0.139	3	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,5]	C[3,5,6]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3,5,6]-4:N[3,5]-3:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H)	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[3,6](C[3,5,6]C[5,6]N[3,5]H)(N[3,5]C[3,5,6]C[5])(C[6]O[6]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]O[5]O){1|C<4>,2|H<1>,2|O<2>}	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	59.5881	0.159	2	59.5881	0.025	2	59.5881	0.025	2	59.5881	0.025	2	59.3830	0.139	3	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3,6,6]	4:3:4:1:	4:4:4:	4:3:4:3:	C[3,6,6]-4:N[3,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[3,6](C[3,6,6]N[3,6]C[6]2)(N[3,6]C[3,6,6]C[6])(C[6]O[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	59.3092	0.000	1	59.3092	0.000	1	59.3092	0.000	1	59.3092	0.000	1	59.3092	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	3:3:4:1:	4:4:4:	4:3:3:1:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[3,6]-4:N[3,6]-3:C-3:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H){1|O<2>,2|C<3>,2|O<1>}	58.9875	0.000	1	58.9875	0.000	1	58.9875	0.000	1	58.9875	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	3:3:4:3:	4:3:4:	4:3:1:1:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2{1|N<3>,5|C<3>}	59.7240	0.000	1	59.7240	0.000	1	59.7240	0.000	1	59.7240	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	3:4:3:2:	4:4:3:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	61.2538	0.000	1	61.2538	0.000	1	61.2538	0.000	1	61.2538	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	3:4:3:4:	4:4:4:	4:3:1:1:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC)	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	59.8275	0.916	2	59.8275	0.839	2	59.8275	0.839	2	59.8275	0.839	2	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	3:4:4:1:	4:4:3:	4:3:4:1:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.8796	0.000	1	59.8796	0.000	1	59.8796	0.000	1	59.8796	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[6]-4:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H){1|C<4>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	59.1257	0.000	1	59.1257	0.000	1	59.1257	0.000	1	59.1257	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	59.6087	0.416	2	59.6087	0.173	2	59.6087	0.173	2	59.6087	0.173	2	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3]	4:3:4:3:	4:4:4:	4:3:1:1:	C[6]-4:N[3,6]-3:C[3]-4:C-3:	C[3,6]-4:C[6]-4:C[3]-4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO)	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH)	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO){2|H<1>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH){2|H<1>,4|C<3>}	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2{2|H<1>,4|C<3>}	60.2397	0.000	1	60.2397	0.000	1	60.2397	0.000	1	60.2397	0.000	1	59.8083	0.502	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	3:4:3:1:	4:4:4:	4:3:4:1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	60.0406	0.425	2	60.0406	0.181	2	59.8097	0.250	3	59.8097	0.250	3	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	3:4:3:1:	4:4:4:	4:3:4:1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	59.3478	0.000	1	59.3478	0.000	1	59.8097	0.250	3	59.8097	0.250	3	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	3:4:3:1:	4:4:4:	4:4:3:1:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	59.6022	0.000	1	59.6022	0.000	1	59.6022	0.000	1	59.6022	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:2:1:	4:4:1:	4:3:3:3:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	61.2705	0.000	1	61.2705	0.000	1	61.2705	0.000	1	61.2705	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:2:2:	4:4:1:	4:4:3:2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	62.6355	0.000	1	62.6355	0.000	1	62.6355	0.000	1	62.6226	0.002	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:2:2:	4:4:1:	4:4:3:2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	62.6426	0.000	1	62.6426	0.000	1	62.6183	0.002	3	62.6226	0.002	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:2:2:	4:4:1:	4:4:3:2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	62.6061	0.059	2	62.6061	0.003	2	62.6183	0.002	3	62.6226	0.002	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:2:2:	4:4:1:	4:4:3:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	62.4848	0.000	1	62.4848	0.000	1	62.4848	0.000	1	62.4848	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:3:1:	4:4:3:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	59.8698	0.000	1	59.8698	0.000	1	59.8698	0.000	1	59.8698	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	58.5999	0.000	1	58.5999	0.000	1	58.5999	0.000	1	58.5999	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:3:3:	4:4:1:	4:3:2:1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	56.7210	0.000	1	56.7210	0.000	1	56.7210	0.000	1	56.7210	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:3:	4:3:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	60.3229	0.000	1	60.3229	0.000	1	60.3229	0.000	1	60.3229	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	60.8310	0.297	2	60.8310	0.088	2	60.9373	0.078	3	60.9373	0.078	3	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	61.1499	0.000	1	61.1499	0.000	1	60.9373	0.078	3	60.9373	0.078	3	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	60.7482	0.000	1	60.7482	0.000	1	60.7482	0.000	1	60.7482	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	60.2450	0.497	2	60.4074	0.216	4	60.4074	0.216	4	60.4074	0.216	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	60.5698	0.543	2	60.4074	0.216	4	60.4074	0.216	4	60.4074	0.216	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	60.5733	0.000	1	60.5733	0.000	1	60.9793	0.156	5	60.9793	0.156	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	60.6145	0.000	1	60.6145	0.000	1	60.9793	0.156	5	60.9793	0.156	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	61.0963	0.095	2	61.2363	0.063	3	60.9793	0.156	5	60.9793	0.156	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	61.5163	0.000	1	61.2363	0.063	3	60.9793	0.156	5	60.9793	0.156	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:4:	4:4:1:	4:4:3:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	60.2374	0.000	1	60.2374	0.000	1	60.2374	0.000	1	60.2374	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	59.0839	0.000	1	59.0839	0.000	1	59.6310	0.103	5	59.6310	0.103	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	59.7463	0.042	2	59.7176	0.003	3	59.6310	0.103	5	59.6310	0.103	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<3>,3|H<1>}	59.6602	0.000	1	59.7176	0.003	3	59.6310	0.103	5	59.6310	0.103	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	59.9182	0.000	1	59.9182	0.000	1	59.6310	0.103	5	59.6310	0.103	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:1:	4:3:4:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	62.3908	0.000	1	62.3908	0.000	1	62.3908	0.000	1	62.3908	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:1:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H){1|C<4>,2|H<1>,2|O<2>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	59.5696	0.270	4	59.5696	0.073	4	59.5696	0.073	4	59.7620	0.103	8	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:1:	4:4:3:1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H)	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	N[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]N[3]H)(C[6]C[5,6]FH)(N[3]C[3,6]H)(H){1|C<4>,2|H<1>,2|O<2>}	59.9545	0.261	4	59.9545	0.068	4	59.9545	0.068	4	59.7620	0.103	8	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	3:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	60.9772	0.000	1	60.9772	0.000	1	60.9772	0.000	1	60.9772	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	59.6578	0.055	2	59.6578	0.003	2	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	60.3482	0.078	2	60.3482	0.006	2	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	60.4381	0.709	2	60.0064	0.551	8	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	58.4796	0.000	1	60.0064	0.551	8	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	60.3948	0.000	1	60.0064	0.551	8	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	60.0752	0.400	4	60.0064	0.551	8	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	60.9028	0.000	1	60.5055	0.316	2	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	N[3](C[3,6]C[3,6]C[6]H)2(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	60.1083	0.000	1	60.5055	0.316	2	60.0767	0.391	14	60.0767	0.391	14	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	60.7321	0.338	2	60.8654	0.063	5	60.8654	0.063	5	60.8654	0.063	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	61.1809	0.000	1	60.8654	0.063	5	60.8654	0.063	5	60.8654	0.063	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:1:	4:4:4:	4:4:3:4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	60.8410	0.009	2	60.8654	0.063	5	60.8654	0.063	5	60.8654	0.063	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:2:	4:4:1:	4:3:2:2:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	56.2760	0.000	1	56.2760	0.000	1	56.2760	0.000	1	56.4552	0.079	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:2:	4:4:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	56.1718	0.000	1	56.1718	0.000	1	56.5149	0.097	3	56.4552	0.079	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:2:	4:4:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	56.6865	0.129	2	56.6865	0.017	2	56.5149	0.097	3	56.4552	0.079	4	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:3:	4:4:1:	4:3:2:2:	C[6]-4:C[3,6]-4:N[3]-3:C-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(COO){4|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	56.4162	0.000	1	56.4162	0.000	1	56.4162	0.000	1	56.4162	0.000	1	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:4:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	59.6868	0.217	2	59.6114	0.062	5	59.6114	0.062	5	59.6114	0.062	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:4:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	59.7356	0.005	2	59.6114	0.062	5	59.6114	0.062	5	59.6114	0.062	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3,6]	N[3]	C[3,6]	4:4:3:4:	4:4:4:	4:4:3:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	59.2123	0.000	1	59.6114	0.062	5	59.6114	0.062	5	59.6114	0.062	5	60.0615	1.989	72	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	3:4:3:1:	4:4:4:	4:3:4:3:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[4,5]-4:C[3]-4:C[3,5]-4:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	60.2682	0.000	1	60.2682	0.000	1	60.2682	0.000	1	60.2682	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:1:1:	4:4:4:	3:4:3:4:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|C<4>,1|H<1>,5|C<3>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	59.7161	0.000	1	59.7161	0.000	1	59.7161	0.000	1	59.7161	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:1:1:	4:4:4:	4:3:4:3:	C[3,5]-4:N[3,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(H)2{1|N<3>,2|H<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	60.2824	0.110	2	60.2824	0.012	2	60.2824	0.012	2	60.2824	0.012	2	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:3:4:	3:4:3:3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5,6a]-3:C[3]-4:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[5,6a]C[3,5])(CC[6a]O)(H){1|O<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	58.6666	0.000	1	58.6666	0.000	1	58.6666	0.000	1	58.6666	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:3:	3:4:4:1:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]C){4|H<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	58.9939	0.000	1	58.9939	0.000	1	58.9939	0.000	1	58.9939	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	3:3:4:3:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(H){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	60.3333	0.473	2	60.3333	0.224	2	60.3333	0.224	2	60.6074	0.337	3	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	3:3:4:3:	C[3,5]-4:N[3,5]-3:C-3:I-1:	C[3,5]-4:S[5]-4:C[3]-4:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	C[3](C[3,5]C[5,6a]N[3,5]C)(N[3,5]C[3,5]S[5])(CC[6a]O)(I){2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	61.1557	0.000	1	61.1557	0.000	1	61.1557	0.000	1	60.6074	0.337	3	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	3:4:3:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	60.0274	0.000	1	60.0274	0.000	1	60.0274	0.000	1	60.0274	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	3:4:3:4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]S[5])(CCH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	59.6938	0.000	1	59.6938	0.000	1	59.6938	0.000	1	59.6938	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	59.2972	0.165	4	59.2972	0.027	4	59.2972	0.027	4	59.2972	0.027	4	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:3:2:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	60.6018	0.000	1	60.6018	0.000	1	60.6018	0.000	1	60.6018	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:3:4:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	59.2377	0.000	1	59.2377	0.000	1	59.2377	0.000	1	59.2377	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	59.4875	0.000	1	59.4875	0.000	1	59.5247	0.003	2	59.5247	0.003	2	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	59.5620	0.000	1	59.5620	0.000	1	59.5247	0.003	2	59.5247	0.003	2	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:4:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	59.0357	0.155	2	59.0357	0.024	2	59.0357	0.024	2	59.0357	0.024	2	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:3:4:4:	C[3,5]-4:N[3,5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	C[3](C[3,5]C[5,5]N[3,5]C)(N[3,5]C[3,5]C[5])(COO)(H){1|H<1>,1|N<3>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	60.1932	0.000	1	60.1932	0.000	1	60.1932	0.000	1	60.1932	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:4:3:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	60.1857	0.000	1	60.1857	0.000	1	60.1857	0.000	1	60.1857	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:1:	4:4:4:	4:4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	58.9615	0.000	1	58.9615	0.000	1	58.9615	0.000	1	58.9615	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,5]	C[3,5]	4:3:3:4:	4:4:4:	4:3:4:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	57.4915	0.000	1	57.4915	0.000	1	57.4915	0.000	1	57.4915	0.000	1	59.6294	0.597	25	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6,6]	4:3:4:1:	4:4:4:	3:4:4:3:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6]-4:C[3]-4:Si[6]-4:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	60.7960	0.000	1	60.7960	0.000	1	60.7960	0.000	1	60.7960	0.000	1	60.7960	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:3:4:	3:3:4:3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[3]-4:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[3](C[3,6]C[5a,6]N[3,6]C[6a])(N[3,6]C[6,6a]C[3,6])(H)2{1|N<3>,5|C<3>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	59.7719	0.000	1	59.7719	0.000	1	59.7719	0.000	1	59.7719	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:4:4:	3:4:3:4:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[3](C[3,6]N[3,6]C[6a]C[6])(N[3,6]C[3,6]C[6])(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	60.4460	0.191	2	60.4460	0.036	2	60.4460	0.036	2	60.4460	0.036	2	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[6]-4:N[3,6]-3:C[3]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH)	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]C[6]C)(C[3]C[3,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[6]C[6a]O[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(H){1|C<4>,4|C<3>}	60.2031	0.000	1	60.2031	0.000	1	60.2031	0.000	1	60.2031	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:1:1:	4:4:4:	4:3:4:3:	C[3,6]-4:N[3,6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:C[3]-4:	C[6]-4:N[3,6]-3:C[3]-4:C-3:	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH)	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO)	C[3](C[3,6]N[3,6]C[6]C)(N[3,6]C[3,6]C[6])(H)2{2|H<1>,4|C<3>}	N[3,6](C[3,6]C[3]C[6]C)(C[6]C[6a]C[6]H)(C[3]C[3,6]HH){2|H<1>,4|C<3>}	C[3,6](C[6]C[6a]C[6]H)(N[3,6]C[3]C[6])(C[3]N[3,6]HH)(COO){2|H<1>,4|C<3>}	58.6817	0.000	1	58.6817	0.000	1	58.6817	0.000	1	58.6817	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:3:1:	4:4:4:	3:3:4:1:	C[3,6]-4:N[3,6]-3:C-3:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	C[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]S[6])(CC[6a]O)(H){1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	59.8637	0.000	1	59.8637	0.000	1	59.8637	0.000	1	59.8637	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	59.9295	0.167	2	59.9295	0.028	2	59.9295	0.028	2	59.9295	0.028	2	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:4:1:	4:4:3:	3:4:3:2:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	57.6459	0.000	1	57.6459	0.000	1	57.6459	0.000	1	57.6459	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3,6]	C[3,6]	4:3:4:1:	4:4:3:	3:4:4:1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[3,6]-3:C[3]-4:C[6]-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6]N[5,6]CH)(H){1|O<1>,2|C<4>}	59.1623	0.000	1	59.1623	0.000	1	59.1623	0.000	1	59.1623	0.000	1	59.6080	0.781	10	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,3]	4:3:4:1:	4:4:3:	4:3:3:4:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3,3]-4:C[3]-4:N[5]-3:	C[3,6]-4:N[3,6]-3:N[3]-3:C[3]-4:	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH)	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[3,3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(N[3]C[3]N[5])(C[3]N[3]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	58.6981	0.000	1	58.6981	0.000	1	58.6981	0.000	1	58.6981	0.000	1	58.6981	0.000	1	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,5]	4:3:1:1:	4:4:3:	3:4:3:3:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:C[3]-4:S-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]S)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	60.2967	0.000	1	60.2967	0.000	1	60.2967	0.000	1	60.2967	0.000	1	59.7278	0.400	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,5]	4:3:1:1:	4:4:4:	4:4:4:3:	C[3,5]-4:N[3]-3:H-1:H-1:	C[3,5]-4:C[3]-4:S-4:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO)	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	C[3](C[3,5]C[5]2N[3])(N[3]C[3,5]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	60.6169	0.000	1	60.6169	0.000	1	60.6169	0.000	1	60.6169	0.000	1	59.7278	0.400	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,5]	4:3:3:1:	4:4:3:	3:4:3:3:	C[3,5]-4:N[3]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[3](C[3,5]C[5,6a]C[5]N[3])(N[3]C[3,5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	59.2953	0.572	2	59.2953	0.328	2	59.2953	0.328	2	59.2953	0.328	2	59.7278	0.400	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,5]	4:3:3:1:	4:4:3:	4:4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-3:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	59.3725	0.000	1	59.3725	0.000	1	59.3725	0.000	1	59.3725	0.000	1	59.7278	0.400	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3,5]	4:3:3:1:	4:4:4:	4:4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-4:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	59.4902	0.000	1	59.4902	0.000	1	59.4902	0.000	1	59.4902	0.000	1	59.7278	0.400	6	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:1:1:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2{4|C<3>}	58.6669	0.000	1	58.6669	0.000	1	58.6669	0.000	1	58.6669	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:3:4:1:	4:3:4:	4:3:4:1:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	59.1497	0.000	1	59.1497	0.000	1	59.1497	0.000	1	59.1497	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:3:4:1:	4:4:4:	4:3:3:1:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	60.2847	0.000	1	60.2847	0.000	1	60.2627	0.001	2	60.2627	0.001	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:3:4:1:	4:4:4:	4:3:3:1:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H){1|H<1>,2|C<3>,2|C<4>}	60.2406	0.000	1	60.2406	0.000	1	60.2627	0.001	2	60.2627	0.001	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:1:1:	4:4:3:	3:4:4:3:	N[3]-3:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:N[5]-3:	N[3]-3:C[3]-4:C-4:C-3:	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2{2|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	61.2400	0.000	1	61.2400	0.000	1	61.2400	0.000	1	61.2400	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:1:1:	4:4:4:	3:4:4:1:	N[3]-3:C[3]-4:H-1:H-1:	C[5]-4:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH)	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H)	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2{1|H<1>,2|C<3>}	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>}	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H){1|H<1>,2|C<3>}	59.5270	0.000	1	59.5270	0.000	1	59.5270	0.000	1	59.5270	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	3:4:4:	3:4:4:1:	N[3]-3:C[3]-4:C-3:H-1:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H){2|C<3>}	59.6285	0.000	1	59.6285	0.000	1	59.6285	0.000	1	59.6285	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:1:	4:3:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-3:C-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2{2|C<3>}	58.9149	0.110	4	58.9149	0.012	4	58.9149	0.012	4	58.9149	0.012	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:1:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	59.2946	0.000	1	59.2946	0.000	1	59.5862	0.170	2	59.5862	0.170	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:1:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	59.8779	0.000	1	59.8779	0.000	1	59.5862	0.170	2	59.5862	0.170	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	3:4:3:1:	N[3]-3:C[3]-4:C-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	N[3]-3:C[3]-4:C-3:H-1:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<3>,2|O<1>}	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(COO)(H){2|C<3>}	60.4201	0.654	2	60.4201	0.428	2	60.4201	0.428	2	60.4201	0.428	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:Cl-1:H-1:	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	58.3104	0.000	1	58.3104	0.000	1	58.3104	0.000	1	58.3104	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H){2|C<3>}	59.3596	0.000	1	59.3596	0.000	1	59.3596	0.000	1	59.3596	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:3:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:S-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	58.5057	0.000	1	58.5057	0.000	1	58.5057	0.000	1	58.5057	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2{2|C<3>}	59.0068	0.000	1	59.0068	0.000	1	59.0068	0.000	1	59.5768	0.100	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	59.5453	0.097	2	59.5453	0.009	2	59.6243	0.077	12	59.5768	0.100	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	59.5994	0.291	9	59.5994	0.084	9	59.6243	0.077	12	59.5768	0.100	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	60.0066	0.000	1	60.0066	0.000	1	59.6243	0.077	12	59.5768	0.100	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H){2|C<3>}	60.2202	0.000	1	60.2202	0.000	1	59.7123	0.123	4	59.7123	0.123	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H){2|C<3>}	59.4547	0.000	1	59.4547	0.000	1	59.7123	0.123	4	59.7123	0.123	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H){2|C<3>}	59.6675	0.000	1	59.6675	0.000	1	59.7123	0.123	4	59.7123	0.123	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H){2|C<3>}	59.5068	0.000	1	59.5068	0.000	1	59.7123	0.123	4	59.7123	0.123	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:4:1:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	60.0138	0.000	1	60.0138	0.000	1	60.0138	0.000	1	58.9567	0.434	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	58.4899	0.000	1	58.4899	0.000	1	58.6925	0.114	4	58.9567	0.434	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	58.5421	0.040	2	58.5421	0.002	2	58.6925	0.114	4	58.9567	0.434	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:4:1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	59.1956	0.000	1	59.1956	0.000	1	58.6925	0.114	4	58.9567	0.434	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:1:	4:4:4:	4:3:4:4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2{2|C<3>}	60.7277	0.000	1	60.7277	0.000	1	60.7277	0.000	1	60.7277	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:3:	4:4:3:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO){2|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	60.5686	0.000	1	60.5686	0.000	1	60.5686	0.000	1	60.5686	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:3:	4:4:3:	4:3:3:1:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H){2|C<3>}	59.1461	0.000	1	59.1461	0.000	1	59.1461	0.000	1	59.1461	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:4:	4:4:3:	4:3:1:1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	57.1884	0.000	1	57.1884	0.000	1	57.1884	0.000	1	57.1884	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:3:4:	4:4:4:	4:3:1:1:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	59.7665	0.000	1	59.7665	0.000	1	59.7665	0.000	1	59.7665	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	3:4:4:	3:4:3:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-3:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCH)(H){2|C<3>}	61.3380	0.000	1	61.3380	0.000	1	61.3380	0.000	1	61.3380	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	3:4:4:	3:4:4:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H){2|C<3>}	60.6704	0.000	1	60.6704	0.000	1	60.3636	0.188	2	60.3636	0.188	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	3:4:4:	3:4:4:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H){2|C<3>}	60.0568	0.000	1	60.0568	0.000	1	60.3636	0.188	2	60.3636	0.188	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	3:4:4:	3:4:4:4:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:C-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3)	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3){2|C<3>}	61.5268	0.000	1	61.5268	0.000	1	61.5268	0.000	1	61.5268	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	4:4:3:	3:4:4:1:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:N[5]-3:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<4>,2|O<1>}	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H){2|C<3>}	60.4413	0.277	6	60.4413	0.077	6	60.4413	0.077	6	60.4413	0.077	6	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:1:	4:4:4:	3:4:1:1:	N[3]-3:C[3]-4:C-4:H-1:	C[5]-4:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:H-1:H-1:	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H)	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH)	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H){1|H<1>,2|C<3>}	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>}	C[3](N[3]C[3]C[5])(C[3]N[3]CH)(H)2{1|H<1>,2|C<3>}	60.2502	0.000	1	60.2502	0.000	1	60.2502	0.000	1	60.2502	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:3:	4:4:3:	3:4:1:1:	N[3]-3:C[3]-4:C-4:C-3:	C[3]-4:C[3]-4:N[5]-3:	N[3]-3:C[3]-4:H-1:H-1:	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	C[3](N[3]C[3]N[5])(C[3]N[3]CC)(H)2{2|C<3>}	58.6492	0.000	1	58.6492	0.000	1	58.6492	0.000	1	58.6492	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	3:4:4:4:	3:4:4:	3:4:4:1:	N[3]-3:C[3]-4:C-4:C-4:	N[6a]-3:C[3]-4:C[3]-4:	N[3]-3:C[3]-4:C-4:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H){2|C<3>}	59.4642	0.000	1	59.4642	0.000	1	59.4642	0.000	1	59.4642	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:3:4:	3:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:C[3]-4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(H)2{4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	60.4346	0.000	1	60.4346	0.000	1	60.4346	0.000	1	60.4346	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:1:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	59.8798	0.000	1	59.8798	0.000	1	59.9626	0.014	2	59.9626	0.014	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:1:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	60.0454	0.000	1	60.0454	0.000	1	59.9626	0.014	2	59.9626	0.014	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	3:4:3:1:	C[3]-4:N[3]-3:Cl-1:H-1:	C[3]-4:C[3]-4:S-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	60.8429	0.000	1	60.8429	0.000	1	60.8429	0.000	1	60.8429	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	3:4:3:3:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	59.7316	0.000	1	59.7316	0.000	1	59.7316	0.000	1	59.7316	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	3:4:3:4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	60.7696	0.000	1	60.7696	0.000	1	60.7696	0.000	1	60.7696	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)2(CCN)	C[3](C[3]N[3]HH)(N[3]C[3]C)(H)2	59.2382	0.426	2	59.2382	0.182	2	59.2382	0.182	2	59.2382	0.182	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	4:3:3:3:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-3:C-3:	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	59.4996	0.000	1	59.4996	0.000	1	59.4996	0.000	1	59.4996	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	59.0604	0.000	1	59.0604	0.000	1	59.0604	0.000	1	59.4338	0.279	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	59.8073	0.000	1	59.8073	0.000	1	59.8073	0.000	1	59.4338	0.279	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	59.7320	0.000	1	59.7320	0.000	1	59.7320	0.000	1	60.8193	0.167	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	60.7773	0.330	2	60.7773	0.109	2	60.9099	0.066	12	60.8193	0.167	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	60.9842	0.215	9	60.9842	0.046	9	60.9099	0.066	12	60.8193	0.167	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	60.5059	0.000	1	60.5059	0.000	1	60.9099	0.066	12	60.8193	0.167	13	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	3:4:3:4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]S)(H)2{2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	60.7732	0.000	1	60.7732	0.000	1	60.7732	0.000	1	60.7732	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SCOO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SCOO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	60.4862	0.070	2	60.4862	0.005	2	60.3533	0.230	4	60.3533	0.230	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]HH)2(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(H)2	60.2204	0.784	2	60.2204	0.614	2	60.3533	0.230	4	60.3533	0.230	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	60.6536	0.000	1	60.6536	0.000	1	60.1843	0.440	2	60.1843	0.440	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	59.7150	0.000	1	59.7150	0.000	1	60.1843	0.440	2	60.1843	0.440	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	59.6407	0.000	1	59.6407	0.000	1	59.3857	0.154	4	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	59.1311	0.450	2	59.1311	0.202	2	59.3857	0.154	4	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	59.6399	0.000	1	59.6399	0.000	1	59.3857	0.154	4	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:S-4:H-1:	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	58.9105	0.000	1	58.9105	0.000	1	58.9105	0.000	1	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	60.2205	0.000	1	60.2205	0.000	1	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	59.9586	0.208	3	59.9586	0.043	3	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	60.4405	0.077	2	60.4405	0.006	2	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	59.8645	0.000	1	59.8645	0.000	1	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	60.0723	0.000	1	60.0723	0.000	1	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	60.3063	0.000	1	60.3063	0.000	1	60.1356	0.061	9	59.8338	0.263	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	60.8423	0.000	1	60.8423	0.000	1	60.8423	0.000	1	60.8423	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[5]-4:N[3]-3:H-1:	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H)	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2{1|H<1>,2|C<4>}	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	59.4689	0.000	1	59.4689	0.000	1	59.4689	0.000	1	59.7400	0.094	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|N<3>}	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>}	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|S<4>,2|H<1>}	59.9242	0.361	2	59.9242	0.130	2	59.9242	0.130	2	59.7400	0.094	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO)	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO){1|C<4>,1|H<1>,1|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	59.6428	0.000	1	59.6428	0.000	1	59.6428	0.000	1	59.7400	0.094	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:1:1:	4:4:4:	4:4:3:4:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2{1|H<1>,2|C<4>}	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO){1|H<1>,2|C<4>}	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	60.8928	0.269	2	60.8928	0.072	2	60.8928	0.072	2	60.8928	0.072	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:2:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-2:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	58.7620	0.000	1	58.7620	0.000	1	58.7620	0.000	1	58.7620	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:1:	4:3:3:4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	59.4543	0.014	2	59.4543	0.000	2	59.4543	0.000	2	59.4543	0.000	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:1:	4:3:4:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	N[3](C[3]C[3]CH)2(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	59.0816	0.000	1	59.0816	0.000	1	59.0816	0.000	1	59.0816	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:1:	4:4:3:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	59.8249	0.000	1	59.8249	0.000	1	59.8249	0.000	1	59.8249	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	58.5581	0.000	1	58.5581	0.000	1	58.5581	0.000	1	58.5581	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	3:4:3:3:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	C[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(CHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	58.1652	0.000	1	58.1652	0.000	1	58.1652	0.000	1	58.1652	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:N-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	N[3](C[3]C[6a]C[3]H)2(NCC)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(NCC){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	59.4412	0.230	2	59.4412	0.053	2	59.4412	0.053	2	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	58.0772	0.550	3	58.0772	0.302	3	58.0772	0.302	3	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	61.0597	0.479	3	61.0597	0.230	3	61.0597	0.230	3	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	60.0188	0.000	1	59.4335	0.415	4	59.4335	0.415	4	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	59.9617	0.000	1	59.4335	0.415	4	59.4335	0.415	4	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	58.8301	0.000	1	59.4335	0.415	4	59.4335	0.415	4	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	58.9235	0.000	1	59.4335	0.415	4	59.4335	0.415	4	59.5023	1.433	12	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	59.9634	0.000	1	59.9634	0.000	1	59.9634	0.000	1	59.9634	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:3:	4:3:3:4:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	61.4236	0.000	1	61.4236	0.000	1	61.4236	0.000	1	61.4236	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:3:4:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(CC[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	58.0435	0.000	1	58.0435	0.000	1	58.2032	0.051	2	58.2032	0.051	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:3:4:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C[6])(COO)(H){1|H<1>,2|C<3>,2|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	58.3628	0.000	1	58.3628	0.000	1	58.2032	0.051	2	58.2032	0.051	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCH)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.0519	0.000	1	59.0519	0.000	1	59.3840	0.186	4	59.3840	0.186	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.3876	0.000	1	59.3876	0.000	1	59.3840	0.186	4	59.3840	0.186	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CHN)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.9926	0.000	1	59.9926	0.000	1	59.3840	0.186	4	59.3840	0.186	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(COO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.1040	0.000	1	59.1040	0.000	1	59.3840	0.186	4	59.3840	0.186	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	59.7118	0.000	1	59.7118	0.000	1	59.8905	0.064	2	59.8905	0.064	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(COO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.0692	0.000	1	60.0692	0.000	1	59.8905	0.064	2	59.8905	0.064	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	60.1329	0.567	2	60.1329	0.321	2	60.1329	0.321	2	59.6829	1.016	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(COO)(H)	59.2328	1.384	2	59.2328	1.916	2	59.2328	1.916	2	59.6829	1.016	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	59.6351	0.000	1	59.6351	0.000	1	59.6351	0.000	1	59.6351	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	59.4292	0.000	1	59.4292	0.000	1	59.4292	0.000	1	59.6512	1.812	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-3:Br-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	61.0944	0.000	1	61.0944	0.000	1	61.0944	0.000	1	59.6512	1.812	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	58.4301	0.000	1	58.4301	0.000	1	58.4301	0.000	1	59.6512	1.812	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	61.1706	0.894	4	61.1706	0.800	4	61.1706	0.800	4	61.1706	0.800	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:3:	4:4:1:	3:4:3:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(COO)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	58.8287	0.075	4	58.8287	0.006	4	58.8287	0.006	4	58.8287	0.006	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:3:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]C)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)	C[3](C[3]N[3]CC)(N[3]C[3]C)(H)2	57.0044	0.000	1	57.0044	0.000	1	57.0044	0.000	1	57.0044	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:3:	4:4:3:	4:3:3:1:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	58.0923	0.000	1	58.0923	0.000	1	58.0923	0.000	1	58.0923	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:3:	4:4:4:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	59.8255	0.000	1	59.8255	0.000	1	59.8255	0.000	1	59.8255	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:3:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-3:C-3:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	59.9291	0.000	1	59.9291	0.000	1	59.9291	0.000	1	59.9291	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:4:	4:4:1:	4:3:3:1:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	58.7468	0.101	2	58.7468	0.010	2	58.7468	0.010	2	58.7468	0.010	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:3:4:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	58.7530	0.000	1	58.7530	0.000	1	58.7530	0.000	1	58.7530	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:3:4:	3:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	61.9140	0.000	1	61.9140	0.000	1	61.9140	0.000	1	61.9140	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	60.7700	0.000	1	60.7700	0.000	1	60.2300	0.583	2	60.2300	0.583	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	59.6900	0.000	1	59.6900	0.000	1	60.2300	0.583	2	60.2300	0.583	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	60.4211	0.000	1	60.4211	0.000	1	60.2251	0.077	2	60.2251	0.077	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(H)2	60.0290	0.000	1	60.0290	0.000	1	60.2251	0.077	2	60.2251	0.077	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	4:3:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(COO)(H)	60.1857	0.000	1	60.1857	0.000	1	60.1857	0.000	1	60.1857	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:1:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	60.0511	0.056	2	60.0511	0.003	2	60.0511	0.003	2	60.0511	0.003	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	3:4:3:1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:S-3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.5873	0.000	1	59.5873	0.000	1	59.5873	0.000	1	59.5873	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	59.9433	0.000	1	59.9433	0.000	1	59.9433	0.000	1	60.1882	0.120	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.4330	0.000	1	60.4330	0.000	1	60.4330	0.000	1	60.1882	0.120	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	59.4221	0.000	1	59.4221	0.000	1	58.8389	0.891	4	58.8389	0.891	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	59.7641	0.000	1	59.7641	0.000	1	58.8389	0.891	4	58.8389	0.891	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	58.4962	0.000	1	58.4962	0.000	1	58.8389	0.891	4	58.8389	0.891	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:3:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	57.6730	0.000	1	57.6730	0.000	1	58.8389	0.891	4	58.8389	0.891	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	59.5437	0.000	1	59.5437	0.000	1	59.3539	0.046	4	59.7448	0.798	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	59.2781	0.297	2	59.2781	0.088	2	59.3539	0.046	4	59.7448	0.798	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	59.3156	0.000	1	59.3156	0.000	1	59.3539	0.046	4	59.7448	0.798	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	61.3086	0.000	1	61.3086	0.000	1	61.3086	0.000	1	59.7448	0.798	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	59.5997	0.000	1	59.5997	0.000	1	59.4909	0.055	4	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	59.4646	0.387	2	59.4646	0.149	2	59.4909	0.055	4	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[3](C[3]N[3]CH)(N[3]C[3]C)(H)2	59.4346	0.000	1	59.4346	0.000	1	59.4909	0.055	4	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.4555	0.000	1	60.4555	0.000	1	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.2343	0.205	3	60.2343	0.042	3	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.3555	0.063	2	60.3555	0.004	2	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.8391	0.000	1	60.8391	0.000	1	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.0020	0.000	1	60.0020	0.000	1	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(H)2	60.6557	0.000	1	60.6557	0.000	1	60.3740	0.073	9	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	60.1102	0.000	1	60.1102	0.000	1	60.1102	0.000	1	60.1028	0.224	14	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	60.2963	0.000	1	60.2963	0.000	1	60.2963	0.000	1	60.2963	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.4602	0.000	1	59.4602	0.000	1	59.4602	0.000	1	59.7260	1.197	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:Br-1:	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]O)(Br)	58.7891	0.000	1	58.7891	0.000	1	58.7891	0.000	1	59.7260	1.197	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCH)(H)	60.9286	0.000	1	60.9286	0.000	1	60.9286	0.000	1	59.7260	1.197	3	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:3:3:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:C-3:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(COO)2	59.4524	0.000	1	59.4524	0.000	1	59.4524	0.000	1	59.4524	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	59.3359	0.041	2	59.3359	0.002	2	59.3434	0.001	4	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	59.3510	0.011	2	59.3510	0.000	2	59.3434	0.001	4	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	60.3175	0.335	4	60.3175	0.112	4	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	60.4209	0.000	1	60.4209	0.000	1	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	60.7332	0.216	2	60.7332	0.047	2	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	60.9362	0.000	1	60.9362	0.000	1	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	59.4902	0.000	1	59.4902	0.000	1	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	59.4979	0.000	1	59.4979	0.000	1	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	59.7100	0.363	2	59.7100	0.132	2	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	60.2607	0.373	2	60.2607	0.139	2	60.2159	0.258	14	60.0220	0.336	18	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-2:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	61.1992	0.248	2	61.1992	0.062	2	61.1810	0.064	5	61.1810	0.064	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-2:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	61.1689	0.310	3	61.1689	0.096	3	61.1810	0.064	5	61.1810	0.064	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	61.5844	0.169	2	61.5844	0.029	2	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	61.3781	0.000	1	61.3781	0.000	1	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	61.2602	0.272	4	61.2602	0.074	4	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	61.2766	0.243	4	61.2766	0.059	4	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	60.9933	0.000	1	60.9933	0.000	1	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:1:	4:4:4:	4:3:4:4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:C-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	60.5011	1.341	3	60.5011	1.800	3	61.1460	0.418	15	61.1460	0.418	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:2:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	59.0904	0.026	2	59.0904	0.001	2	58.9999	0.064	5	58.9999	0.064	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:2:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	58.9396	0.339	3	58.9396	0.115	3	58.9999	0.064	5	58.9999	0.064	5	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:1:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	59.8501	0.254	2	59.8501	0.064	2	59.8501	0.064	2	59.8501	0.064	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	3:4:3:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	59.4121	0.000	1	59.4121	0.000	1	59.4121	0.000	1	59.4121	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(H)2	59.6185	0.000	1	59.6185	0.000	1	59.6185	0.000	1	59.6185	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CNO)(H)	58.2841	0.561	4	58.2841	0.314	4	58.2841	0.314	4	58.2841	0.314	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	59.6536	0.379	2	59.6536	0.144	2	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	59.1030	0.000	1	59.1030	0.000	1	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	59.6304	0.111	3	59.6304	0.012	3	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	58.7281	0.000	1	58.7281	0.000	1	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	59.2491	0.231	4	59.2491	0.053	4	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:3:4:4:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:C-4:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	59.6792	0.439	4	59.6792	0.193	4	59.4495	0.150	15	59.4495	0.150	15	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:1:	4:4:1:	4:3:3:1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	60.2655	0.000	1	60.2655	0.000	1	60.2655	0.000	1	60.2655	0.000	1	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:1:	4:4:4:	4:3:1:1:	C[3]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2	C[3](C[3]C[3]N[3]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|S<4>,2|H<1>}	N[3](C[3]C[3]2H)(C[3]C[3]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>}	C[3](C[3]C[3]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|N<3>}	60.4689	0.054	2	60.4689	0.003	2	60.4689	0.003	2	60.2739	0.055	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:1:	4:4:4:	4:3:1:1:	C[3]-4:C[5]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H)	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	C[3](C[3]C[5]N[3]H)(N[3]C[3]C)(H)2{1|H<1>,2|C<4>}	60.0073	0.000	1	60.0073	0.000	1	60.0073	0.000	1	60.2739	0.055	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:1:	4:4:4:	4:3:1:1:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO)	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	N[3](C[3]C[3]C[6]H)(C[3]C[3]HH)(SCOO){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[6]N[3]H)(N[3]C[3]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	60.1506	0.000	1	60.1506	0.000	1	60.1506	0.000	1	60.2739	0.055	4	59.8649	0.833	274	59.8211	1.157	486
486	138	486	3:SP3_SP3_SP3	C[3]	N[3]	C[3]	4:4:3:4:	4:4:4:	4:3:1:1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:N[3]-3:H-1:H-1:	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO)	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO){1|H<1>,2|C<4>}	C[3](C[3]C[6]N[3]C)(N[3]C[3]S)(H)2{1|H<1>,2|C<4>}	59.7062	0.007	2	59.7062	0.000	2	59.7062	0.000	2	59.7062	0.000	2	59.8649	0.833	274	59.8211	1.157	486
486	138	486	6:SP3_SP3_SP3	C[3,6]	N[3,6]	C[3,6]	4:3:4:1:	4:3:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H)	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2)	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H)	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H){4|Si<4>,2|C<3>,4|C<4>}	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2){5|Si<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H){4|Si<4>,2|C<3>,4|C<4>}	111.4580	0.205	2	111.4580	0.042	2	111.4580	0.042	2	111.4580	0.042	2	111.4580	0.042	2	111.4580	0.042	2
486	138	490	0:SP3_SP2_SP3	C[3,3]	N[3]	C	6:4:3:4:	6:4:3:	4:1:1:1:	Nb[3x3,5]-6:C[3,3]-4:N[3]-3:C-4:	Nb[3x3,5]-6:C[3,3]-4:C[6a]-3:	C[3,3]-4:H-1:H-1:H-1:	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,5]H)(N[3]Nb[3x3,5]C[6a])(CH3)	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2)	C(C[3,3]Nb[3x3,5]C[3,3]N[3])(H)3	C[3,3](Nb[3x3,5]C[3,3]C[3,5]N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,5]H)(N[3]Nb[3x3,5]C[6a])(CH3){2|C<3>,4|C<4>}	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C(C[3,3]Nb[3x3,5]C[3,3]N[3])(H)3	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	120.7376	1.308	7	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3,3]	N[3]	C	7:4:3:4:	7:4:3:	4:1:1:1:	Nb[3x3]-7:C[3,3]-4:N[3]-3:C-4:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	C[3,3]-4:H-1:H-1:H-1:	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3)	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2)	C(C[3,3]Nb[3x3]C[3,3]N[3])(H)3	C[3,3](Nb[3x3]C[3,3]N[3]2Cl3)(C[3,3]Nb[3x3]N[3]C)(N[3]Nb[3x3]C[6a])(CH3){3|C<3>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	C(C[3,3]Nb[3x3]C[3,3]N[3])(H)3	120.7205	0.030	2	120.7205	0.001	2	120.7205	0.001	2	120.4847	0.167	3	120.7376	1.308	7	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3,3]	N[3]	C	7:4:3:4:	7:4:3:	4:1:1:1:	Nb[4x3,4]-7:C[3,3]-4:N[3]-3:C-4:	Nb[4x3,4]-7:C[3,3]-4:C[6a]-3:	C[3,3]-4:H-1:H-1:H-1:	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]H)(N[3]Nb[4x3,4]C[6a])(CH3)	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2)	C(C[3,3]Nb[4x3,4]C[3,3]N[3])(H)3	C[3,3](Nb[4x3,4]C[3,3]2C[3,4]N[3]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]H)(N[3]Nb[4x3,4]C[6a])(CH3){1|C<4>,5|C<3>}	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C(C[3,3]Nb[4x3,4]C[3,3]N[3])(H)3	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	120.4847	0.167	3	120.7376	1.308	7	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3,3]	N[3]	C	8:4:3:4:	4:8:3:	4:1:1:1:	Nb[6x3]-8:C[3,3]-4:N[3]-3:C-4:	C[3,3]-4:Nb[6x3]-8:C[6a]-3:	C[3,3]-4:H-1:H-1:H-1:	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]H)(N[3]Nb[6x3]C[6a])(CH3)	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2)	C(C[3,3]Nb[6x3]C[3,3]N[3])(H)3	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]H)(N[3]Nb[6x3]C[6a])(CH3){2|C<3>,4|C<4>}	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C(C[3,3]Nb[6x3]C[3,3]N[3])(H)3	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	120.7376	1.308	7	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3,3]	N[3]	C	8:4:3:4:	8:4:3:	4:1:1:1:	Nb[5x3]-8:C[3,3]-4:N[3]-3:C-4:	Nb[5x3]-8:C[3,3]-4:C[6a]-3:	C[3,3]-4:H-1:H-1:H-1:	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]C[3,3]H)(N[3]Nb[5x3]C[6a])(CH3)	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2)	C(C[3,3]Nb[5x3]C[3,3]N[3])(H)3	C[3,3](Nb[5x3]C[3,5,6]2C[3,3]2N[3]2N)(C[3,3]Nb[5x3]C[3,3]H)(N[3]Nb[5x3]C[6a])(CH3){2|H<1>,3|C<3>,3|C<4>}	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|H<1>,5|C<4>}	C(C[3,3]Nb[5x3]C[3,3]N[3])(H)3	122.1620	0.055	2	122.1620	0.003	2	122.1620	0.003	2	122.1620	0.003	2	120.7376	1.308	7	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3,6]	C	4:3:4:1:	4:4:3:	4:4:4:1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:C-4:C-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	3:3:4:1:	4:3:4:	4:3:3:2:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	113.8695	0.244	2	113.8695	0.060	2	114.5527	1.430	3	114.5527	1.430	3	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	3:3:4:1:	4:3:4:	4:3:3:2:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	115.9190	0.000	1	115.9190	0.000	1	114.5527	1.430	3	114.5527	1.430	3	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:3:4:	4:4:3:	4:4:1:1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[5]-4:H-1:H-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	116.7410	0.000	1	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	3:4:4:1:	3:4:4:	4:4:1:1:	N[3]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:S-4:F-1:F-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	4:3:3:4:	4:4:3:	4:1:1:1:	C[3]-4:N[3]-3:C-3:C-4:	C[3]-4:C[3]-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	C(C[3]C[3]N[3]C)(H)3	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP2_SP3	C[3]	N[3]	C	5:3:4:4:	5:4:3:	4:1:1:1:	Nb[3,6]-5:N[3]-3:C-4:C-4:	Nb[3,6]-5:C[3]-4:C[6a]-3:	C[3]-4:H-1:H-1:H-1:	C[3](Nb[3,6]N[3]N[6]2N)(N[3]Nb[3,6]C[6a])(CH3)2	N[3](Nb[3,6]C[3]N[6]2N)(C[3]Nb[3,6]CC)(C[6a]C[6a]2)	C(C[3]Nb[3,6]N[3]C)(H)3	C[3](Nb[3,6]N[3]N[6]2N)(N[3]Nb[3,6]C[6a])(CH3)2{6|C<3>}	N[3](Nb[3,6]C[3]N[6]2N)(C[3]Nb[3,6]CC)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C(C[3]Nb[3,6]N[3]C)(H)3	115.0710	0.901	2	115.0710	0.812	2	115.0710	0.812	2	115.0710	0.812	2	115.0700	1.060	8	117.7008	9.016	16
486	138	490	0:SP3_SP3_SP3	C[3,3]	N[3]	C	8:4:3:4:	4:8:4:	4:4:1:1:	Nb[6x3]-8:C[3,3]-4:N[3]-3:C-4:	C[3,3]-4:Nb[6x3]-8:C-4:	C[3,3]-4:C-4:H-1:H-1:	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(N[3]Nb[6x3]C)(CCHH)	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3)	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	C[3,3](Nb[6x3]C[3,3]4N[3]2N)(C[3,3]Nb[6x3]C[3,3]C)(N[3]Nb[6x3]C)(CCHH){1|C<3>,1|H<1>,2|C<4>}	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3){1|C<3>,1|H<1>,3|C<4>}	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,5]	N[3,5]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)	C(C[3,5]C[5,5]N[3,5]C[3])(H)3	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[3,5](C[3,5]C[5,5]C[3]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]CH){1|H<1>,4|C<3>}	C(C[3,5]C[5,5]N[3,5]C[3])(H)3	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,5]	N[3]	C	4:3:3:4:	4:4:1:	4:4:4:3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C-4:C-4:C-3:	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:3:4:4:	4:4:1:	4:1:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:H-1:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H)	C(C[3,6]C[3,6]C[6]N[3])(H)3	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(H){3|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]N[3])(H)3	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]N[3])(H)3	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<3>,4|H<1>}	C(C[3,6]C[3,6]C[6]N[3])(H)3	120.0687	0.599	3	120.0687	0.359	3	120.0687	0.359	3	120.0687	0.359	3	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:3:4:4:	4:4:4:	4:2:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){3|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:3:4:4:	4:4:4:	4:4:1:1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:4:3:4:	4:4:4:	4:1:1:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]N[3])(H)3	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]N[3])(H)3	119.8335	0.294	4	119.8522	0.067	5	119.8522	0.067	5	119.8522	0.067	5	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3,6]	N[3]	C	4:4:3:4:	4:4:4:	4:1:1:1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]N[3])(H)3	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){2|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]N[3])(H)3	119.9270	0.000	1	119.8522	0.067	5	119.8522	0.067	5	119.8522	0.067	5	119.4221	13.182	11	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3,5]	C	4:3:3:4:	4:4:4:	4:1:1:1:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:F-1:F-1:F-1:	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	C(C[3]C[3,5]N[3,5]C[6a])(F)3	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	C(C[3]C[3,5]N[3,5]C[6a])(F)3	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3,6]	C	4:3:4:1:	4:4:3:	4:1:1:1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	C(C[3]C[3,6]N[3,6]H)(H)3	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	C(C[3]C[3,6]N[3,6]H)(H)3	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	117.5357	1.210	3	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3,6]	C	4:3:4:1:	4:4:3:	4:4:4:1:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[3]-4:C-4:C-4:H-1:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	117.5357	1.210	3	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3,6]	C	4:3:4:1:	4:4:4:	4:4:4:1:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3,6,6]-4:C[3]-4:Si[6]-4:	C[3]-4:C-4:C-4:H-1:	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	117.5357	1.210	3	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:2:4:4:	4:4:2:	4:1:1:1:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:P-4:O[3]-2:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C(C[3]N[3]O[3]C)(H)3	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C(C[3]N[3]O[3]C)(H)3	119.8030	0.000	1	119.8030	0.000	1	119.8030	0.000	1	119.8030	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:2:4:4:	4:4:2:	4:4:4:4:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:P-4:O[3]-2:	C[3]-4:C-4:C-4:C-4:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C(C[3]N[3]O[3]C)(CH3)3	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C(C[3]N[3]O[3]C)(CH3)3	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:3:1:	4:1:1:1:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[3]-4:F-1:F-1:F-1:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H)	C(C[3]C[6a]N[3]2)(F)3	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H){2|C<3>}	C(C[3]C[6a]N[3]2)(F)3	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	117.7035	0.364	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:3:1:	4:1:1:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[3]-4:F-1:F-1:F-1:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H)	C(C[3]C[6a]N[3]2)(F)3	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H){2|C<3>,3|C<4>}	C(C[3]C[6a]N[3]2)(F)3	117.6745	0.104	2	117.6745	0.011	2	117.4490	0.158	3	117.7035	0.364	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:3:1:	4:1:1:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[3]-4:F-1:F-1:F-1:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H)	C(C[3]C[6a]N[3]2)(F)3	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	C(C[3]C[6a]N[3]2)(F)3	116.9980	0.000	1	116.9980	0.000	1	117.4490	0.158	3	117.7035	0.364	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:3:4:	4:1:1:1:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:C-4:	C[3]-4:F-1:F-1:F-1:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	C(C[3]C[6a]N[3]2)(F)3	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	C(C[3]C[6a]N[3]2)(F)3	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:4:3:	4:1:1:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[4]-4:N[3]-3:	C[3]-4:F-1:F-1:F-1:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H)	C(C[3]C[6a]N[3]2)(F)3	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H){1|O<2>,2|C<3>,4|H<1>}	C(C[3]C[6a]N[3]2)(F)3	111.4500	0.754	2	111.4500	0.568	2	111.4500	0.568	2	111.8010	0.654	3	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:3:4:	4:4:3:	4:1:1:1:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[6]-4:N[3]-3:	C[3]-4:F-1:F-1:F-1:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H)	C(C[3]C[6a]N[3]2)(F)3	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H){2|C<3>,2|C<4>,4|H<1>}	C(C[3]C[6a]N[3]2)(F)3	112.5030	0.000	1	112.5030	0.000	1	112.5030	0.000	1	111.8010	0.654	3	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:3:4:1:	4:3:4:	4:3:3:2:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	115.8280	0.000	1	115.8280	0.000	1	115.8280	0.000	1	115.8280	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:3:4:	4:4:3:	4:3:1:1:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C-3:H-1:H-1:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:3:4:	4:4:4:	4:1:1:1:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[6a]C[3]N[3])(H)3	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C(C[3]C[6a]C[3]N[3])(H)3	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	3:4:4:	4:1:1:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(H)3	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]H)(H)3	117.2500	0.000	1	117.2500	0.000	1	117.0070	0.118	2	117.0070	0.118	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	3:4:4:	4:1:1:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(H)3	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]H)(H)3	116.7640	0.000	1	116.7640	0.000	1	117.0070	0.118	2	117.0070	0.118	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	3:4:4:	4:4:1:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C-4:H-1:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]H)(CCHH)(H)2	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	3:4:4:	4:4:2:1:	N[3]-3:C[3]-4:C-4:H-1:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C-4:O-2:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	4:4:3:	4:2:1:1:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:O-2:H-1:H-1:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H)	N[3](C[3]C[3]CH)2(N[5]C[5]2)	C(C[3]C[3]N[3]H)(OC)(H)2	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H){2|C<3>}	N[3](C[3]C[3]CH)2(N[5]C[5]2){2|C<4>,2|O<1>}	C(C[3]C[3]N[3]H)(OC)(H)2	116.7958	1.805	6	116.7958	3.260	6	116.7958	3.260	6	116.7958	3.260	6	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:1:	4:4:4:	4:3:3:2:	N[3]-3:C[3]-4:C-4:H-1:	C[5]-4:C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H)	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H){1|H<1>,2|C<3>}	N[3](C[5]C[5,6a]2H)(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	114.0140	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:3:	4:4:3:	4:3:3:1:	N[3]-3:C[3]-4:C-4:C-3:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:C[6a]-3:N-3:H-1:	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	N[3](C[3]C[3]CC)(C[3]C[3]HH)(N[5]C[5]2){2|C<3>,2|O<1>}	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[3]-3:C[3]-4:C-4:C-4:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C(C[3]C[3]N[3]C)(H)3	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]C)(H)3	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	3:4:4:4:	3:4:4:	4:4:2:1:	N[3]-3:C[3]-4:C-4:C-4:	N[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C-4:O-2:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3){2|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:3:4:	4:4:1:	4:4:4:4:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	116.3740	3.411	2	116.3740	11.635	2	116.3740	11.635	2	116.3740	11.635	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:3:4:	4:4:3:	4:4:2:1:	C[3]-4:N[3]-3:B[5]-3:C-4:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:C-4:O-2:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]N[5])(B[5]O[5]2)(CCHO){2|C<4>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:3:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	C[3]-4:Cl-1:H-1:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C(C[3]C[3]N[3]H)(Cl)(H)2	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C(C[3]C[3]N[3]H)(Cl)(H)2	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:2:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]H)(OH)(H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C(C[3]C[3]N[3]H)(OH)(H)2	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:3:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:N[6]-3:C-3:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:3:3:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	118.6480	0.928	2	118.6480	0.861	2	117.8487	2.347	3	117.8487	2.347	3	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:1:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	N[3](C[3]C[3]CH)2(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	116.2500	0.000	1	116.2500	0.000	1	117.8487	2.347	3	117.8487	2.347	3	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:F-1:F-1:F-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(F)3	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(F)3	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:N-3:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C-3:O-2:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SCO)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:4:1:1:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3,3]-4:C[3]-4:N[5]-3:	C[3]-4:C-4:H-1:H-1:	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2)	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[3](C[3,3]C[3,6]N[3,6]C[3])(C[3]C[3,3]CH)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:4:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C-4:O-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	117.8250	5.399	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:4:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:P-4:O-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	N[3](C[3]C[3]CH)2(COO)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	117.8250	5.399	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:3:	4:4:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C-4:C-4:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C(C[3]C[3]N[3]H)(CH3)2(H)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CNO)	C(C[3]C[3]N[3]H)(CH3)2(H)	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:F-1:F-1:F-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C(C[3]C[3]N[3]H)(F)3	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C(C[3]C[3]N[3]H)(F)3	116.2110	0.025	2	116.2110	0.001	2	116.2110	0.001	2	117.7031	7.970	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:F-1:F-1:F-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(F)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(F)3	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	117.7031	7.970	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(H)3	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(H)3	116.5818	0.884	5	116.5818	0.781	5	118.3929	10.091	7	117.7031	7.970	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(H)3	122.9205	0.151	2	122.9205	0.023	2	118.3929	10.091	7	117.7031	7.970	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:2:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C(C[3]C[3]N[3]H)(OSi)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C(C[3]C[3]N[3]H)(OSi)(H)2	113.4430	0.000	1	113.4430	0.000	1	116.3138	2.650	9	116.3138	2.650	9	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:2:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OC)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OC)(H)2	117.0340	0.955	3	117.0340	0.913	3	116.3138	2.650	9	116.3138	2.650	9	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:2:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OSi)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(OSi)(H)2	115.6053	0.648	3	115.6053	0.419	3	116.3138	2.650	9	116.3138	2.650	9	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:2:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	C(C[3]C[3]N[3]H)(OC)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	N[3](C[3]C[3]CH)2(SCOO)	C(C[3]C[3]N[3]H)(OC)(H)2	117.7315	1.793	2	117.7315	3.213	2	116.3138	2.650	9	116.3138	2.650	9	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:N-3:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C(C[3]C[3]N[3]H)(NCH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C(C[3]C[3]N[3]H)(NCH)(H)2	115.3680	0.000	1	115.3680	0.000	1	115.3680	0.000	1	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-3:Br-1:H-1:	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CNO)(Br)(H)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	N[3](C[3]C[3]BrC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CNO)(Br)(H)	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-3:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCH)(H)2	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:F-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	116.5145	0.067	2	116.5145	0.005	2	115.9197	1.064	3	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	114.7300	0.000	1	114.7300	0.000	1	115.9197	1.064	3	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N-3:H-1:H-1:	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(NCC)(H)2	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]H)(NCC)(H)2	113.5810	0.000	1	113.5810	0.000	1	115.6070	4.087	3	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:N-3:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(NHS)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(NHS)(H)2	116.6200	1.420	2	116.6200	2.016	2	115.6070	4.087	3	115.2479	2.083	10	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:O-2:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	116.7440	0.877	2	116.7440	0.769	2	116.7440	0.769	2	116.9657	1.000	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-3:N-2:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	117.1318	1.209	5	117.1318	1.461	5	117.1318	1.461	5	116.9657	1.000	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:O-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	116.9657	1.000	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:N-3:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:3:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C-4:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:3:4:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:P-4:O-2:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]H)(CCHH)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]H)(CCHH)(H)2	118.7135	0.537	2	118.7135	0.288	2	117.4665	1.152	6	116.5948	3.616	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CH3)(H)2	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CH3)(H)2	116.3540	0.000	1	116.3540	0.000	1	117.4665	1.152	6	116.5948	3.616	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCHH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCHH)(H)2	117.5340	0.000	1	117.5340	0.000	1	117.4665	1.152	6	116.5948	3.616	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	116.7420	0.269	2	116.7420	0.072	2	117.4665	1.152	6	116.5948	3.616	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6]-4:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	113.9795	1.146	2	113.9795	1.314	2	113.9795	1.314	2	116.5948	3.616	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C-4:N-2:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	115.5545	5.575	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	115.7395	0.610	2	115.7395	0.372	2	115.7395	0.372	2	115.5545	5.575	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:2:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:O-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	N[3](C[3]C[3]CH)2(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	112.5220	0.000	1	112.5220	0.000	1	112.5220	0.000	1	115.5545	5.575	4	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:P-4:N-3:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N[3](C[3]C[3]CH)2(CC[6a]HH)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	119.3205	0.185	2	119.3205	0.034	2	119.3205	0.034	2	116.7740	6.074	5	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:N-3:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	116.3360	0.000	1	116.3360	0.000	1	115.0763	1.322	3	116.7740	6.074	5	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:3:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:N-3:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	114.4465	0.514	2	114.4465	0.264	2	115.0763	1.322	3	116.7740	6.074	5	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:4:1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:C-4:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CH3)2(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]H)(CH3)2(H)	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:1:	4:4:4:	4:4:4:2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C-4:C-4:O-2:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C(C[3]C[3]N[3]H)(CH3)2(OH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C(C[3]C[3]N[3]H)(CH3)2(OH)	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:2:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	119.3538	3.248	5	119.3538	10.549	5	119.3538	10.549	5	119.3538	10.549	5	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]C)(H)3	115.1210	2.348	2	115.1210	5.511	2	115.1210	5.511	2	115.1210	5.511	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:1:	4:4:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]C)(CCHH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]N[3]C)(CCHH)(H)2	115.0555	1.563	2	115.0555	2.444	2	115.0555	2.444	2	115.0555	2.444	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2{2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO){2|C<3>}	C(C[3]C[3]N[3]C)(H)3	115.8625	4.830	2	115.8625	23.331	2	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]C)(H)3	110.0635	0.431	2	110.0635	0.185	2	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	120.0198	0.677	4	120.0198	0.459	4	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	113.3850	0.811	3	113.3850	0.658	3	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCo2C)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SCOO)	C(C[3]C[3]N[3]C)(H)3	119.9630	0.000	1	119.9630	0.000	1	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	116.1406	3.976	16	116.1406	15.805	16	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	N[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(H)3	116.0730	5.910	2	116.0730	34.928	2	116.0815	16.197	30	116.0815	16.197	30	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:2:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-2:H-1:O-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)(H)(O)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)(H)(O)	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:2:2:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-2:O-2:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	118.3920	0.314	2	118.3920	0.099	2	118.3920	0.099	2	118.3920	0.099	2	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]NO)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	121.4335	0.675	2	121.4335	0.456	2	115.6734	20.735	8	115.6734	20.735	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH3)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH3)(H)2	112.6725	0.979	4	112.6725	0.958	4	115.6734	20.735	8	115.6734	20.735	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:3:4:4:	4:4:4:	4:4:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH3)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	N[3](C[3]C[3]CC)(C[3]C[3]CH)(SC[6a]OO)	C(C[3]C[3]N[3]C)(CH3)(H)2	115.9150	6.271	2	115.9150	39.321	2	115.6734	20.735	8	115.6734	20.735	8	116.5745	8.931	157	116.7403	9.850	175
486	138	490	0:SP3_SP3_SP3	C[3]	N[3]	C	4:4:3:4:	4:4:4:	4:1:1:1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO)	C(C[3]C[3]C[6]N[3])(H)3	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	N[3](C[3]C[3]C[6]C)(C[3]C[3]HH)(SC[6a]OO){1|H<1>,2|C<4>}	C(C[3]C[3]C[6]N[3])(H)3	120.0255	0.095	2	120.0255	0.009	2	120.0255	0.009	2	120.0255	0.009	2	116.5745	8.931	157	116.7403	9.850	175
486	138	542	0:SP3_SP2_SP3	C[3,5]	N[3]	N[5]	4:3:3:3:	4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1
486	138	622	0:SP3_SP2_SP3	C[3,6]	N[3]	O[6]	4:3:2:1:	4:4:1:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:H-1:	C[3,6]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)	C[3,6](C[3,6]C[6a]C[6]N[3])(N[3]C[3,6]H)(O[6]C[6,6a])(H){1|O<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H){2|H<1>,4|C<3>}	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	117.4483	3.798	6	117.4483	3.798	6
486	138	622	0:SP3_SP2_SP3	C[3,6]	N[3]	O[6]	4:3:2:2:	4:4:1:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	116.6720	0.000	1	116.6713	0.472	3	116.6713	0.472	3	116.6713	0.472	3	117.4483	3.798	6	117.4483	3.798	6
486	138	622	0:SP3_SP2_SP3	C[3,6]	N[3]	O[6]	4:3:2:2:	4:4:1:	3:4:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[6,6a]-3:C[3,6]-4:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]O){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	116.6710	0.972	2	116.6713	0.472	3	116.6713	0.472	3	116.6713	0.472	3	117.4483	3.798	6	117.4483	3.798	6
486	138	622	0:SP3_SP2_SP3	C[3,6]	N[3]	O[6]	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	116.8350	0.000	1	116.6775	0.050	2	116.6775	0.050	2	116.6775	0.050	2	117.4483	3.798	6	117.4483	3.798	6
486	138	622	0:SP3_SP2_SP3	C[3,6]	N[3]	O[6]	4:3:2:2:	4:4:1:	4:3:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6]-3:	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H)	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6])	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]O[6]O)(H){1|H<1>,3|C<3>}	O[6](C[3,6]C[3,6]N[3]O)(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.5200	0.000	1	116.6775	0.050	2	116.6775	0.050	2	116.6775	0.050	2	117.4483	3.798	6	117.4483	3.798	6
486	138	622	6:SP3_SP2_SP3	C[3,6]	N[3,6]	O[6]	3:4:3:2:	4:4:3:	4:3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[6]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6])	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	O[6](C[3,6]N[3,6]C[6a]C[3])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,6|C<3>}	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1	117.5040	0.000	1
486	138	643	0:SP3_SP2_SP2	C[3,3]	N[3]	C[6a]	7:3:3:2:	4:7:3:	4:3:3:	Nb[3,3]-7:N[3]-3:C[6a]-3:O[3]-2:	C[3,3]-4:Nb[3,3]-7:C[6a]-3:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3])	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2)	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)2	C[3,3](Nb[3,3]N[3]O[3]N3O)(N[3]Nb[3,3]C[6a])(C[6a]C[6a]2)(O[3]Nb[3,3]){2|C<4>,4|C<3>}	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[3,3]Nb[3,3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,3|N<3>}	128.3270	0.000	2	128.3270	0.000	2	128.3270	0.000	2	128.3270	0.000	2	129.0330	0.919	4	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3,3]	N[3]	C[6a]	9:3:3:2:	9:4:3:	4:3:3:	Nb[5x3]-9:N[3]-3:C[6a]-3:O[3]-2:	Nb[5x3]-9:C[3,3]-4:C[6a]-3:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3])	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2)	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)2	C[3,3](Nb[5x3]C[3,3]C[3]N[3]3O[3]2N)(N[3]Nb[5x3]C[6a])(C[6a]C[6a]2)(O[3]Nb[5x3]){2|H<1>,3|C<4>,6|C<3>}	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[3,3]Nb[5x3]N[3]O[3])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|N<3>}	129.7390	0.874	2	129.7390	0.764	2	129.7390	0.764	2	129.7390	0.764	2	129.0330	0.919	4	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:3:3:3:	4:3:3:	3:3:4:	N[3]-3:N[3]-3:C[6a]-3:C-3:	C[3]-4:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO)	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6a]N[3])2(C[6a]C[6a]2)(COO){2|H<1>,6|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){2|H<1>,3|C<3>}	119.5610	2.275	2	119.5610	5.178	2	119.5610	5.178	2	119.5610	5.178	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.2160	0.000	1	119.2160	0.000	1	118.6765	0.582	2	118.6765	0.582	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	118.1370	0.000	1	118.1370	0.000	1	118.6765	0.582	2	118.6765	0.582	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[3]C[5a]C[3]N[3])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	3:4:3:4:	4:4:3:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)2(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(H){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	117.0840	0.225	2	117.0840	0.051	2	117.0840	0.051	2	117.0840	0.051	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5a]C[6a]N[3])(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.8800	0.000	1	119.8800	0.000	1	119.3920	3.234	4	119.1148	2.125	6	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	121.7220	0.000	1	121.7220	0.000	1	119.3920	3.234	4	119.1148	2.125	6	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.1610	0.000	1	118.1610	0.000	1	119.3920	3.234	4	119.1148	2.125	6	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]Si)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	117.8050	0.000	1	117.8050	0.000	1	119.3920	3.234	4	119.1148	2.125	6	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	118.5605	0.008	2	118.5605	0.000	2	118.5605	0.000	2	119.1148	2.125	6	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	4:3:3:4:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:Si-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(SiC3){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]Si)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	5:3:3:1:	5:4:3:	4:3:3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	117.7800	0.000	1	117.7800	0.000	1	119.7985	8.149	2	119.7985	8.149	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP2	C[3]	N[3]	C[6a]	5:3:3:1:	5:4:3:	4:3:3:	Si[3,4]-5:N[3]-3:C[6a]-3:H-1:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H)	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,4]N[3]N[4]2N)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,5|C<3>}	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[3]Si[3,4]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	121.8170	0.000	1	121.8170	0.000	1	119.7985	8.149	2	119.7985	8.149	2	118.4533	3.679	17	120.4685	21.203	21
486	138	643	0:SP3_SP2_SP3	C[3,3]	N[3]	C[6a]	8:3:3:3:	4:8:4:	4:3:3:	Nb[3,3]-8:N[3]-3:N[3]-3:C[6a]-3:	C[3,3]-4:Nb[3,3]-8:Si-4:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2)	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3)	C[6a](C[3,3]Nb[3,3]N[3]2)(C[6a]C[6a]C)2	C[3,3](Nb[3,3]N[3]2Cl4P)(N[3]Nb[3,3]Si)2(C[6a]C[6a]2){2|C<3>,2|C<4>}	N[3](C[3,3]Nb[3,3]C[6a]N[3])(Nb[3,3]C[3,3]N[3]Cl4P)(SiC3){1|Si<4>,2|C<3>}	C[6a](C[3,3]Nb[3,3]N[3]2)(C[6a]C[6a]C)2{2|Si<4>,4|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	123.6990	0.093	2	123.6990	0.009	2	123.6990	0.009	2	123.6990	0.009	2	122.9720	0.750	6	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,3]	N[3]	C[6a]	8:3:3:3:	8:4:4:	4:3:3:	Nb[4x3]-8:N[3]-3:N[3]-3:C[6a]-3:	Nb[4x3]-8:C[3,3]-4:Si-4:	C[3,3]-4:C[6a]-3:C[6a]-3:	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2)	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3)	C[6a](C[3,3]Nb[4x3]N[3]2)(C[6a]C[6a]H)2	C[3,3](Nb[4x3]C[3,3]N[3]4ClO)(N[3]Nb[4x3]Si)2(C[6a]C[6a]2){2|Si<4>,2|H<1>,3|C<3>}	N[3](Nb[4x3]C[3,3]2N[3]3ClO)(C[3,3]Nb[4x3]C[6a]N[3])(SiC3){3|Si<4>,3|C<3>}	C[6a](C[3,3]Nb[4x3]N[3]2)(C[6a]C[6a]H)2{1|Cl<1>,2|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	122.6085	0.848	4	122.6085	0.719	4	122.6085	0.719	4	122.6085	0.719	4	122.9720	0.750	6	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,4,5]	N[3,4,4]	C[6a]	3:4:4:3:	4:4:4:	4:3:3:	N[3,4,4]-3:C[3,4,5]-4:C[4,5,6]-4:C[6a]-3:	C[3,4,5]-4:C[4,4,5,6]-4:C[3,4,5]-4:	C[3,4,5]-4:C[6a]-3:C[6a]-3:	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2)	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H)	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2	C[3,4,5](N[3,4,4]C[4,4,5,6]C[3,4,5])(C[3,4,5]N[3,4,4]C[4,5]H)(C[4,5,6]C[4,4,5,6]C[6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[3,4,4](C[3,4,5]C[3,4,5]C[4,5,6]C[6a])(C[4,4,5,6]C[4,5,6]C[4,5]C[6])(C[3,4,5]C[3,4,5]C[4,5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[3,4,5]C[3,4,5]C[4,5,6]N[3,4,4])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	3:3:3:2:	4:4:2:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:S[5]-4:O[3]-2:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5])	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5]){4|C<3>}	C[6a](C[3,5]C[5,6a]N[3,5]O[3])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	3:4:3:3:	4:3:4:	4:3:3:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	3:4:3:4:	4:4:4:	4:3:3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(S[5]C[5]OO){2|C<3>,4|H<1>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	117.8840	0.000	1	117.8840	0.000	1	117.8840	0.000	1	116.8655	2.075	2	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	3:4:3:4:	4:4:4:	4:3:3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	116.8655	2.075	2	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	4:3:3:4:	4:4:4:	4:3:3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[3,5]-4:C[3]-4:C[5]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3,5]	C[6a]	4:3:4:3:	4:4:4:	4:3:3:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[3,5]-4:C[5]-4:C[3]-4:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]HH){1|H<1>,6|C<3>}	C[6a](C[3,5]N[3,5]C[3]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.1930	0.768	2	117.1930	0.590	2	117.1930	0.590	2	117.1930	0.590	2	118.2383	2.763	7	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3]	C[6a]	4:3:3:2:	4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H)	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)(H){2|H<1>,3|C<3>}	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	118.9243	8.279	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3]	C[6a]	4:3:3:3:	4:4:1:	4:3:3:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	C[6a](C[3,5]C[3,5]N[3]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	118.9243	8.279	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,5]	N[3]	C[6a]	4:3:3:3:	4:4:3:	4:3:3:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[3,5]C[3,5]C[5]N[3])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	117.4120	0.600	2	117.4120	0.360	2	117.4120	0.360	2	117.4120	0.360	2	118.9243	8.279	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6a]	3:3:4:3:	4:3:4:	4:3:3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[3,6]C[5a,6]N[3,6]C[3])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	116.1467	4.322	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6a]	3:4:3:2:	4:4:3:	4:3:3:	N[3,6]-3:C[3]-4:C[6a]-3:O[6]-2:	C[3,6]-4:C[3]-4:C[6]-3:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6])	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]CH)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	C[6a](C[3,6]N[3,6]C[3]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	116.1467	4.322	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6a]	3:4:3:4:	4:4:4:	4:3:3:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC)	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]HH)(C[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[3,6]N[3,6]C[3]C[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	115.1355	0.661	2	115.1355	0.437	2	115.1355	0.437	2	115.1355	0.437	2	116.1467	4.322	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	115.5420	1.365	2	115.4410	0.962	3	115.6705	0.852	4	115.6705	0.852	4	115.6705	0.852	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	115.2390	0.000	1	115.4410	0.962	3	115.6705	0.852	4	115.6705	0.852	4	115.6705	0.852	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6,6a]-3:C[3,6]-4:N[3]-3:H-1:	C[3,6]-4:C[3,6]-4:S-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H)	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(SC[6a]OO){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	116.3590	0.000	1	116.3590	0.000	1	115.6705	0.852	4	115.6705	0.852	4	115.6705	0.852	4	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6a]	4:3:3:3:	4:4:1:	4:3:3:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	C[6a](C[3,6]C[3,6]C[6]N[3])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,4|H<1>}	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	N[3,5]-3:C[3,5]-4:C[6a]-3:H-1:	C[4,5]-4:C[3]-4:C[3,5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H)	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2	C[3](N[3,5]C[3,5]C[4,5])(C[3,5]N[3,5]C[5]C)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[3,5](C[4,5]N[4,5]C[4]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C){3|H<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]Cl)2{2|C<3>,2|C<4>,2|H<1>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[6a]C[5])(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]C[6a]N[5]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]N[3,5]H)(N[3,5]C[3,5]S[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	114.5250	0.000	1	114.5250	0.000	1	114.5250	0.000	1	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H)	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,5]N[3,5]H)(N[3,5]C[3,5]C[5,5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]C[3x5]N[5]H)(C[3]C[3,5]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	117.1580	0.000	1	117.1580	0.000	1	116.6334	0.612	9	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,6|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH){2|H<1>,3|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	116.6060	1.495	2	116.6060	2.234	2	116.6334	0.612	9	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[3]O[5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	115.7140	0.000	1	115.7140	0.000	1	116.6334	0.612	9	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,5|H<1>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H){2|H<1>,5|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	116.9040	0.000	1	116.9040	0.000	1	116.6334	0.612	9	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	116.6783	0.697	4	116.6783	0.486	4	116.6334	0.612	9	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H)	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H)	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6]N[3,5]C)(N[3,5]C[3,5]C[5,6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[3,5](C[5,6]N[5,6]C[6a]C[6])(C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[6a]H){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[3]C[3,5]N[3,5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	116.5425	0.943	13	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,5]	C[6a]	4:3:3:4:	4:4:4:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3]-4:C[3,5]-4:C[5]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C)	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]F)(C[5]C[6a]C[5]C){4|C<3>,4|F<1>}	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	117.5117	12.187	15	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,6]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7480	0.000	1	119.7295	2.075	2	119.7295	2.075	2	119.7295	2.075	2	119.7295	2.075	2	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3,6]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,6]-4:N[3,6]-3:C[6a]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H)	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[3]C[3,6]N[3,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7110	0.000	1	119.7295	2.075	2	119.7295	2.075	2	119.7295	2.075	2	119.7295	2.075	2	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:2:1:	4:2:4:	3:4:3:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3){2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[3]N[3]O[3]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.3010	0.074	4	119.3010	0.005	4	119.3010	0.005	4	119.3010	0.005	4	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:2:1:	4:4:2:	4:3:2:	C[6a]-3:N[3]-3:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:2:	4:4:2:	4:3:2:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	C[3]-4:C-4:O[3]-2:	C[3]-4:C[6a]-3:N[6a]-2:	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.0207	4.328	4	118.0207	18.728	4	118.0207	18.728	4	118.0207	18.728	4	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:3:1:	3:3:4:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	116.9977	0.086	4	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:3:1:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[4])(H){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	117.1970	0.263	2	117.1970	0.069	2	117.1040	0.061	3	116.9977	0.086	4	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:3:1:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	116.9180	0.000	1	116.9180	0.000	1	117.1040	0.061	3	116.9977	0.086	4	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:3:4:	3:3:4:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:N[3]-3:C-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:4:3:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[4]-4:N[3]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	N[3](C[3]C[6a]N[3]C)(C[4]C[4]2C)(N[3]C[3]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	125.6120	0.088	2	125.6120	0.008	2	125.6120	0.008	2	125.2350	0.430	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:3:4:	4:4:3:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[6]-4:N[3]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H)	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]N[3]C)(C[6]C[6]2H)(N[3]C[3]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	124.4810	0.000	1	124.4810	0.000	1	124.4810	0.000	1	125.2350	0.430	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H)	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]HH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	121.9140	22.418	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:N[6a]-3:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]N[6a]C[3])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.2620	0.000	1	125.2620	0.000	1	125.2620	0.000	1	121.9140	22.418	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:4:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:3:4:1:	4:4:4:	4:3:3:	N[3]-3:C[6a]-3:C[3]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](N[3]C[3]C[6])(C[6a]C[6a]2)(C[3]N[3]CH)(H){2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	119.1670	0.000	1	119.1670	0.000	1	119.1670	0.000	1	119.1670	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4455	0.890	4	116.4455	0.792	4	117.2112	2.375	6	117.2112	2.375	6	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:1:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]H)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(H){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	118.7425	1.570	2	118.7425	2.466	2	117.2112	2.375	6	117.2112	2.375	6	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:3:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]N[3]ClH)(N[3]C[3]S)(H){1|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|Cl<1>,1|S<3>,3|C<3>,3|H<1>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]O){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	118.1305	1.495	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(SCO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,3|H<1>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	118.1305	1.495	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	118.7607	0.018	3	118.7607	0.000	3	118.6848	0.013	5	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	118.6370	0.000	1	118.6370	0.000	1	118.6848	0.013	5	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]C)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	118.5050	0.000	1	118.5050	0.000	1	118.6848	0.013	5	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CC)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	115.7900	0.000	1	115.7900	0.000	1	116.3735	0.480	16	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	117.0362	0.791	4	117.0362	0.626	4	116.3735	0.480	16	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SCOO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	115.1480	0.000	1	115.1480	0.000	1	116.3735	0.480	16	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	116.3273	0.437	9	116.3273	0.191	9	116.3735	0.480	16	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SO3){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,4|H<1>}	115.9470	0.000	1	115.9470	0.000	1	116.3735	0.480	16	116.9238	1.381	21	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:3:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]C)(CHH){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCO){2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	115.0960	0.526	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:3:	4:4:3:	4:3:3:	C[6a]-3:C[3]-4:N[3]-3:C-3:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(COO){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SCO){2|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,4|H<1>}	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	115.0960	0.526	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:4:	4:4:3:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	3:4:3:4:	4:4:4:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3]-4:C[3]-4:S-4:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SC[6a]OO){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[5]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]C[5]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,4|H<1>}	120.7010	0.000	1	120.7010	0.000	1	119.2353	1.883	3	119.2353	1.883	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]H)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	118.5025	0.738	2	118.5025	0.544	2	119.2353	1.883	3	119.2353	1.883	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|N<3>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]2N[3])(C[6a]C[6a]2)(N[3]C[3]C)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H)	N[3](C[3]C[6a]C[3]H)2(NCC)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]N)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(NCC){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	117.8210	0.083	2	117.8210	0.007	2	117.8210	0.007	2	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|S<3>,2|C<3>,2|H<1>}	120.2753	0.398	3	120.2753	0.159	3	120.2753	0.159	3	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.2250	0.000	1	124.2250	0.000	1	120.9487	7.247	4	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	122.0060	0.000	1	122.0060	0.000	1	120.9487	7.247	4	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.2820	0.000	1	118.7820	0.500	2	120.9487	7.247	4	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.2820	0.000	1	118.7820	0.500	2	120.9487	7.247	4	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:C[3]-4:N[5]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H)	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]B[5]N[3]C)(N[3]C[3]N[5])(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,4|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]C)(N[5]C[5]2){2|O<1>,2|O<2>,4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[3]Si[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	119.5637	4.004	13	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3,5]-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2N[3])(C[6a]C[6a]2)(N[3]C[3,5]C)(H){1|O<1>,4|C<3>,4|H<1>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[3]C[3,5]N[3]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	119.1064	8.436	5	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]C)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	117.5400	0.000	1	117.5400	0.000	1	119.1590	11.230	4	119.1064	8.436	5	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]H)2(SC[6a]OO){4|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	121.2125	4.055	2	121.2125	16.445	2	119.1590	11.230	4	119.1064	8.436	5	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2	C[3](C[3]N[3]ClC)(C[6a]C[6a]2)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	C[6a](C[3]C[3]N[3]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	116.6710	0.000	1	116.6710	0.000	1	119.1590	11.230	4	119.1064	8.436	5	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:3:	4:4:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C)	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH)	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)2(N[3]C[3]C){4|H<1>,6|C<3>}	N[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCH){6|C<3>}	C[6a](C[3]C[6a]C[3]N[3])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	117.1565	3.184	2	117.1565	10.139	2	117.1565	10.139	2	117.1565	10.139	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:3:	4:4:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:C-3:	C[3]-4:C[3]-4:S-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]S)(COO){2|H<1>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(SC[6a]OO){4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	114.4073	1.326	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:3:	4:4:4:	4:3:3:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:Si[3]-4:Si-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3)	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3){2|N<3>,4|C<3>}	C[6a](C[3]C[6a]Si[3]N[3])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|H<1>,4|C<3>}	113.7435	0.087	2	113.7435	0.008	2	113.7435	0.008	2	114.4073	1.326	3	118.0600	8.032	84	118.1580	8.737	128
486	138	643	0:SP3_SP2_SP3	C[3]	N[3]	C[6a]	4:3:3:4:	4:4:1:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H){4|C<3>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	113.7240	1.708	2	113.7240	2.919	2	113.7240	2.919	2	113.7240	2.919	2	118.0600	8.032	84	118.1580	8.737	128
486	138	643	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6,6a]	3:3:2:1:	4:4:2:	4:3:3:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6]){1|H<1>,3|C<3>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.1655	0.503	2	122.1655	0.253	2	122.1655	0.253	2	122.1655	0.253	2	121.2600	2.586	3	121.2600	2.586	3
486	138	643	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[6,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[6,6a]-3:N[3,6]-3:C[3]-4:H-1:	C[3,6]-4:C[3]-4:S[6]-4:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H)	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO)	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[3]S[6])(C[3]N[3,6]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(S[6]O[6]OO){2|C<3>}	C[6,6a](C[3,6]N[3,6]C[3]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	121.2600	2.586	3	121.2600	2.586	3
486	138	727	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5,6a]	6:3:3:1:	6:4:3:	4:3:3:	Nb[3,5,6,6]-6:N[3]-3:C[5,6a]-3:H-1:	Nb[3,5,6,6]-6:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,8|C<3>}	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	121.2825	1.269	2	120.8730	1.137	3
486	138	727	0:SP3_SP2_SP2	C[3,5]	N[3]	C[5,6a]	8:3:3:1:	8:4:3:	4:3:3:	Nb[3x3,5,6,6]-8:N[3]-3:C[5,6a]-3:H-1:	Nb[3x3,5,6,6]-8:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,3|C<4>,8|C<3>}	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,3|C<4>,8|C<3>}	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	121.2825	1.269	2	120.8730	1.137	3
486	138	727	0:SP3_SP2_SP2	C[3]	N[3]	C[5a]	3:4:3:3:	4:4:3:	4:3:2:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:C[5a]-3:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.8730	1.137	3
486	138	727	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	124.1865	1.111	2	124.1865	1.234	2	124.1865	1.234	2	125.1503	3.404	3	122.7810	24.724	4	120.3703	28.917	6
486	138	727	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:S-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	127.0780	0.000	1	127.0780	0.000	1	127.0780	0.000	1	125.1503	3.404	3	122.7810	24.724	4	120.3703	28.917	6
486	138	727	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5,6a]	4:3:3:4:	4:4:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C[3,5]-4:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]N[5])(C[3,5]C[5,6a]C[3,5]C)(H){1|S<4>,4|C<3>}	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	115.6730	0.000	1	122.7810	24.724	4	120.3703	28.917	6
486	138	727	0:SP3_SP2_SP3	C[3]	N[3]	C[5a]	3:4:3:1:	4:4:4:	3:4:3:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[3]-4:S-4:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	N[3](C[3]C[5a]C[3]H)(C[3]C[3]CH)(SC[6a]OO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	115.5490	0.677	2	120.3703	28.917	6
486	138	727	0:SP3_SP2_SP3	C[3]	N[3]	C[5a]	3:4:3:1:	4:4:4:	4:3:2:	C[5a]-3:P[3]-4:N[3]-3:H-1:	C[3]-4:P[3]-4:C-4:	C[3]-4:C[5a]-3:O[5a]-2:	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H)	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3)	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H){1|H<1>,2|C<3>}	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3){1|C<3>,1|O<2>}	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|W<6>,2|C<4>,2|H<1>}	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	115.5490	0.677	2	120.3703	28.917	6
486	138	727	5:SP3_SP2_SP3	C[3,5,6]	N[3,5]	C[5,6a]	3:4:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	110.8232	0.952	6
486	138	727	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5,6a]	3:3:3:2:	4:4:2:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[3,5]-4:S[5]-4:O[3]-2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5])	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5]){4|C<3>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	111.0096	0.929	5	110.8232	0.952	6
486	138	727	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CH){2|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	110.7420	0.303	2	110.7420	0.092	2	110.5293	0.181	3	110.5293	0.181	3	111.0096	0.929	5	110.8232	0.952	6
486	138	727	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[3,5]-4:S[5]-4:C[3]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	N[3,5](C[3,5]C[5,6a]C[3]C)(S[5]C[5,6a]OO)(C[3]C[3,5]CI){2|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	110.1040	0.000	1	110.1040	0.000	1	110.5293	0.181	3	110.5293	0.181	3	111.0096	0.929	5	110.8232	0.952	6
486	138	727	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[3,5]-4:C[3]-4:S[5]-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]H)(S[5]C[5,6a]OO){4|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	111.0096	0.929	5	110.8232	0.952	6
486	138	727	6:SP3_SP2_SP3	C[3,6]	N[3,6]	C[5a,6]	3:3:4:3:	4:3:4:	3:4:3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1
486	138	762	0:SP3_SP2_SP3	C[3,6,6]	N[3,6]	C[6]	3:4:4:3:	4:4:4:	4:3:1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[3]-4:Si[6]-4:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC)	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]CH)(Si[6]O[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	115.1662	1.910	5
486	138	762	0:SP3_SP2_SP3	C[3,6]	N[3,5]	C[6]	4:3:3:1:	4:4:4:	4:3:1:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:S[5]-4:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO)	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	115.1662	1.910	5
486	138	762	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6]	4:3:3:1:	4:4:3:	4:3:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.5510	0.187	3	115.1662	1.910	5
486	138	762	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6]	4:3:3:1:	4:4:4:	4:4:1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	115.5510	0.187	3	115.1662	1.910	5
486	138	762	0:SP3_SP2_SP3	C[3,6]	N[3]	C[6]	4:3:3:3:	4:4:1:	4:3:1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:H-1:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H)	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	N[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]O[6]H)(H){1|O<1>,4|C<3>}	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	115.5510	0.187	3	115.1662	1.910	5
486	138	762	6:SP3_SP2_SP3	C[3,6,6]	N[3,6]	C[6]	4:3:4:3:	4:4:4:	4:2:1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[3,6,6]-4:C[3,6]-4:C[6]-4:	C[3,6,6]-4:O[6]-2:O-1:	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	N[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|O<2>,6|H<1>}	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O){3|C<4>,5|H<1>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1
486	138	790	0:SP3_SP-NON_SP2	C[3]	N[3]	Cl	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	Cl(C[3]C[3]N[3]Cl)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	Cl(C[3]C[3]N[3]Cl)	118.1540	5.244	2	118.1540	27.499	2	118.1540	27.499	2	118.1540	27.499	2	118.1540	27.499	2	118.1540	27.499	2
486	138	790	0:SP3_SP-NON_SP3	C[3]	N[3]	Cl	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:Cl-1:Cl-1:	C[3]-4:C[3]-4:C[6a]-3:	C[3]-4:	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	Cl(C[3]C[3]N[3]Cl)	C[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(Cl)2{4|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	Cl(C[3]C[3]N[3]Cl)	118.4700	3.913	2	118.4700	15.313	2	118.4700	15.313	2	117.6500	9.673	3	115.5447	7.763	7	115.5447	7.763	7
486	138	790	0:SP3_SP-NON_SP3	C[3]	N[3]	Cl	4:3:1:1:	4:4:3:	4:	C[3]-4:N[3]-3:Cl-1:H-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO)	Cl(C[3]C[3]N[3]H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(Cl)(H){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClH)(SCO){2|C<3>}	Cl(C[3]C[3]N[3]H)	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	117.6500	9.673	3	115.5447	7.763	7	115.5447	7.763	7
486	138	790	0:SP3_SP-NON_SP3	C[3]	N[3]	Cl	4:3:3:1:	4:4:3:	4:	C[3]-4:N[3]-3:C-3:Cl-1:	C[3]-4:C[3]-4:S-3:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO)	Cl(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]O)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SCO){2|C<3>}	Cl(C[3]C[3]N[3]C)	114.5047	0.488	3	114.5047	0.238	3	114.5047	0.238	3	114.5047	0.238	3	115.5447	7.763	7	115.5447	7.763	7
486	138	790	0:SP3_SP-NON_SP3	C[3]	N[3]	Cl	4:3:4:1:	4:4:4:	4:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[3]-4:S-4:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO)	Cl(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	N[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)(SC[6a]OO){2|C<3>}	Cl(C[3]C[3]N[3]C)	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	115.5447	7.763	7	115.5447	7.763	7
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3,6]	C[5]	4:3:3:1:	4:4:4:	4:2:1:	C[3,5,6]-4:N[3,6]-3:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:S[6]-4:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H)	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO)	C[5](C[3,5]C[3,5,6]N[3,6]H)(O[5]C[5,6])(O)	C[3,5](C[3,5,6]C[5,6]N[3,6]H)(N[3,6]C[3,5,6]S[6])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]H)(S[6]O[6]OO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[3,5]C[3,5,6]N[3,6]H)(O[5]C[5,6])(O){1|C<4>,1|S<4>,2|H<1>}	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	3:4:3:3:	4:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:C-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	118.3125	2.419	2	118.3125	5.852	2	118.3125	5.852	2	116.4670	13.143	3	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	3:4:3:3:	4:4:3:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[3,5]-4:C[3]-4:S-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO)	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	N[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(SCO){1|N<3>,1|O<1>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|S<3>,2|C<3>,2|H<1>}	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	116.4670	13.143	3	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	4:3:3:1:	4:4:3:	4:3:1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[5]N[3])(N[3]C[3,5]C[6a])(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	117.3470	0.622	2	117.3470	0.387	2	117.3470	0.387	2	117.3470	0.387	2	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	4:3:3:1:	4:4:4:	4:4:1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[3,5]-4:C[5]-4:O-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	4:3:3:3:	4:4:3:	4:3:1:	C[3,5]-4:N[3]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O)	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	115.5410	0.156	2	115.5410	0.024	2	115.5410	0.024	2	115.5410	0.024	2	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	4:4:3:3:	4:4:3:	4:3:3:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-3:	C[3,5]-4:C[5]-3:C-3:	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO)	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH)	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(COO){1|N<3>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	123.0800	0.000	1	123.0800	0.000	1	123.0800	0.000	1	123.0800	0.000	1	117.0912	19.581	10	117.3699	18.477	11
486	138	818	0:SP3_SP2_SP3	C[3,5]	N[3]	C[5]	4:4:3:3:	4:4:4:	3:4:1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[3]-4:C[3,5]-4:C-4:	C[5,6a]-3:C[3,5]-4:O-1:	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O)	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(O){1|C<4>,3|C<3>,4|H<1>}	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	117.0912	19.581	10	117.3699	18.477	11
486	138	818	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5]	3:4:3:3:	4:3:4:	4:3:1:	N[3,5]-3:C[3]-4:C[5]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:	C[3,5]-4:C[5,6a]-3:O-1:	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O)	C[3,5](N[3,5]C[5,6a]C[3])(C[3]N[3,5]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,5|C<3>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	106.2745	2.618	6	106.2745	2.618	6
486	138	818	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5]	4:3:3:1:	4:4:4:	4:3:2:	C[3]-4:N[3,5]-3:C[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:C[6a]-3:N[5]-2:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[6a]N[5])(H){2|C<4>,4|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]CC){3|C<3>}	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	105.2330	0.152	4	105.2330	0.023	4	105.2330	0.023	4	105.2330	0.023	4	106.2745	2.618	6	106.2745	2.618	6
486	138	818	5:SP3_SP2_SP3	C[3,5]	N[3,5]	C[5]	4:3:3:2:	4:4:4:	4:3:3:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:C[5]-3:N-3:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]H){1|C<2>,1|N<3>,4|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(C[5]C[5]C)(NHH){2|C<3>,2|H<1>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	106.2745	2.618	6	106.2745	2.618	6