490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	3:3:4:	4:1:1:1:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:C-4:	C-4:O-1:O-1:O-1:	C(N[5]C[5]N[5])3(SO3)	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S)	S(CN[5]3)(O)3	C(N[5]C[5]N[5])3(SO3)	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S){2|H<1>}	S(CN[5]3)(O)3	109.5944	0.991	9	109.5944	0.981	9	109.5944	0.981	9	109.6319	0.808	28	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	3:3:4:	4:1:1:1:	N[5]-3:N[5]-3:N[5]-3:S-4:	N[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:O-1:	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S)	S(CN[5]3)(O)3	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S){2|H<1>}	S(CN[5]3)(O)3	108.9395	1.166	2	108.9395	1.360	2	109.6497	0.776	19	109.6319	0.808	28	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	3:3:4:	4:1:1:1:	N[5]-3:N[5]-3:N[5]-3:S-4:	N[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:O-1:	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S)	S(CN[5]3)(O)3	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S){2|H<1>}	S(CN[5]3)(O)3	109.8063	1.174	6	109.8063	1.379	6	109.6497	0.776	19	109.6319	0.808	28	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	3:3:4:	4:1:1:1:	N[5]-3:N[5]-3:N[5]-3:S-4:	N[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:O-1:	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S)	S(CN[5]3)(O)3	C(N[5]C[5]N[5])3(SO3)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S){2|H<1>}	S(CN[5]3)(O)3	109.6934	0.673	11	109.6934	0.453	11	109.6497	0.776	19	109.6319	0.808	28	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	4:3:3:	4:2:1:1:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C-4:N[5]-3:C[5]-3:	C-4:O-2:O-1:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H)	S(CN[5a]N[5]2)(OFe)(O)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	S(CN[5a]N[5]2)(OFe)(O)2	109.4445	0.555	2	109.4445	0.308	2	109.4333	0.355	4	109.4333	0.355	4	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:3:3:4:	4:3:3:	4:2:1:1:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C-4:N[5]-3:C[5]-3:	C-4:O-2:O-1:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H)	S(CN[5a]N[5]2)(OMn)(O)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H){1|C<4>,1|H<1>}	S(CN[5a]N[5]2)(OMn)(O)2	109.4220	0.870	2	109.4220	0.756	2	109.4333	0.355	4	109.4333	0.355	4	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:4:1:1:	3:3:4:	4:1:1:1:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:O-1:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	S(CN[5]HH)(O)3	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	S(CN[5]HH)(O)3	114.2830	1.560	2	114.2830	2.433	2	114.2830	2.433	2	114.2830	2.433	2	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:4:1:1:	3:3:4:	4:2:1:1:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:O-1:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS)	S(CN[5]HH)(OIr)(O)2	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	S(CN[5]HH)(OIr)(O)2	110.4390	0.000	1	110.4390	0.000	1	110.9795	0.543	4	110.9795	0.543	4	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:4:1:1:	3:3:4:	4:2:1:1:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:O-1:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	S(CN[5]HH)(OPd)(O)2	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	S(CN[5]HH)(OPd)(O)2	110.2770	0.000	1	110.2770	0.000	1	110.9795	0.543	4	110.9795	0.543	4	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:4:1:1:	3:3:4:	4:2:1:1:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:O-1:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS)	S(CN[5]HH)(ORu)(O)2	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	S(CN[5]HH)(ORu)(O)2	111.6010	0.266	2	111.6010	0.071	2	110.9795	0.543	4	110.9795	0.543	4	109.9927	1.910	39	109.9927	1.910	39
490	542	952	0:SP3_SP2_SP3	C	N[5]	S	3:4:4:1:	4:3:4:	3:4:1:1:	N[5]-3:S-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:O-1:O-1:	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	S(C[6a]C[6a]2)(CN[5]CH)(O)2	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	S(C[6a]C[6a]2)(CN[5]CH)(O)2	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.9927	1.910	39	109.9927	1.910	39
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:1:1:	3:2:4:	3:3:4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	N(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	N(C[6a]C[6a]2)2(CN[5]HH)	112.1535	0.168	2	112.1535	0.028	2	112.1535	0.028	2	112.1535	0.028	2	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:1:1:	3:2:4:	3:4:1:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:H-1:	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)(H)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	N(C[6a]C[6a]2)(CN[5]HH)(H)	114.9055	0.489	2	114.9055	0.239	2	114.9055	0.239	2	114.9055	0.239	2	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]2)(NC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C(N[5]C[5]2)(NC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CHHN){2|C<3>}	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	113.8576	1.636	7	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	112.3550	1.690	2	112.3550	2.856	2	113.6947	1.740	6	113.8576	1.636	7	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	114.3645	0.392	4	114.3645	0.154	4	113.6947	1.740	6	113.8576	1.636	7	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:3:1:	3:3:4:	3:4:1:	N[5]-3:N-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:H-1:	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	N(C[6a]C[6a]2)(CN[5]CH)(H)	113.1885	0.402	2	113.1885	0.162	2	113.1885	0.162	2	113.1885	0.162	2	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]HN)	N(CC[6a]N[5]H)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]HN){2|C<3>}	N(CC[6a]N[5]H)(COO)(H)	111.8345	0.151	2	111.8345	0.023	2	111.2503	1.035	3	111.5260	0.994	4	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5]O)2(CC[6a]HN)	N(CC[6a]N[5]H)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5]O)2(CC[6a]HN){4|H<1>}	N(CC[6a]N[5]H)(CNO)(H)	110.0820	0.000	1	110.0820	0.000	1	111.2503	1.035	3	111.5260	0.994	4	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C[6a]-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	111.5260	0.994	4	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:3:4:1:	4:3:4:	3:4:1:	N[5]-3:N-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:H-1:	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	N(C[6a]C[6a]2)(CN[5]CH)(H)	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CBrCH)(NCH)(H)	N[5](C[5]C[5]O)2(CCHN)	N(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	N[5](C[5]C[5]O)2(CCHN){4|H<1>}	N(CN[5]CH)(COO)(H)	108.7100	0.000	1	108.7100	0.000	1	107.9975	1.015	2	107.9975	1.015	2	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP2	C	N[5]	N	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCHH)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CCHN)	N(CN[5]CH)(CNO)(H)	C(N[5]C[5]2)(CCHH)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	N(CN[5]CH)(CNO)(H)	107.2850	0.000	1	107.2850	0.000	1	107.9975	1.015	2	107.9975	1.015	2	112.5436	4.511	20	112.5436	4.511	20
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	112.9308	3.097	4	112.9308	9.589	4	112.7801	5.816	10	112.7801	5.816	10	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	112.8290	2.614	4	112.8290	6.834	4	112.7801	5.816	10	112.7801	5.816	10	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN)	N(C[6a]C[6a]2)(CN[5]HH)2	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	112.3810	1.631	2	112.3810	2.659	2	112.7801	5.816	10	112.7801	5.816	10	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-4:C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	N(CN[5]HH)3	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){2|C<4>}	N(CN[5]HH)3	112.5508	3.167	12	112.5508	10.029	12	113.1931	10.413	16	113.1931	10.413	16	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-4:C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	N(CC[5a]HH)(CN[5]HH)2	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(CC[5a]HH)(CN[5]HH)2	113.4225	3.813	2	113.4225	14.542	2	113.1931	10.413	16	113.1931	10.413	16	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-4:C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	N(CC[3x6]HH)(CN[5]HH)2	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	N(CC[3x6]HH)(CN[5]HH)2	116.8175	0.057	2	116.8175	0.003	2	113.1931	10.413	16	113.1931	10.413	16	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:1:1:	4:3:4:	4:4:4:	N[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:C-4:	C(N[5]C[5]2)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	N(CN[5]HH)2(CCHH)	C(N[5]C[5]2)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	N(CN[5]HH)2(CCHH)	111.2195	0.865	2	111.2195	0.748	2	111.2195	0.748	2	111.2195	0.748	2	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP2_SP3	C	N[5]	N	3:3:3:1:	3:3:4:	4:4:4:	N[5]-3:C-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:C-4:	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN)	N(CC[6a]HH)(SC[6a]OO)(CN[5]CH)	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN){2|H<1>}	N(CC[6a]HH)(SC[6a]OO)(CN[5]CH)	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	112.8161	7.958	29	112.8161	7.958	29
490	542	956	0:SP3_SP3_SP3	C	N[5]	N	3:3:3:1:	4:3:4:	4:3:4:	N[5]-3:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:C[6a]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:2:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-2:	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(CN[5]HH)(CC)	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(CN[5]HH)(CC)	110.7950	0.393	2	110.7950	0.155	2	110.7950	0.155	2	110.7950	0.155	2	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:1:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-1:	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(N)	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(N)	111.4870	0.000	1	110.5809	0.563	9	110.5809	0.563	9	110.5809	0.563	9	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:1:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-1:	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(N)	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(N)	110.4676	0.715	8	110.5809	0.563	9	110.5809	0.563	9	110.5809	0.563	9	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(CN[5]HH)(CH)	113.1530	0.000	1	112.7497	0.139	3	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(CN[5]HH)(CH)	112.5480	0.187	2	112.7497	0.139	3	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[5]HH)(CH)	113.1320	0.000	1	112.6078	0.840	4	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(CN[5]HH)(CH)	113.5600	0.000	1	112.6078	0.840	4	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]HH)(CH)	111.8695	0.497	2	112.6078	0.840	4	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(CH)	110.8055	0.015	2	110.8055	0.000	2	112.2546	1.029	9	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(CN[5]HH)(CH)	110.9742	1.798	4	110.9742	3.233	4	111.5754	1.431	11	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CC)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CC)	111.3065	0.088	2	111.3065	0.008	2	111.5754	1.431	11	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CH)	111.8197	0.273	3	111.8197	0.075	3	111.5754	1.431	11	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	C(CN[5]HH)(CH)	113.0320	0.000	1	113.0320	0.000	1	111.5754	1.431	11	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>}	C(CN[5]HH)(CH)	112.3280	0.000	1	112.3280	0.000	1	111.5754	1.431	11	111.8810	1.307	20	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	3:4:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(CN[5]HH)(CH)	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	4:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5,6]C[5])(CC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5,6]C[5])(CC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(CN[5]HH)(CH)	110.7343	0.078	4	110.7343	0.006	4	110.7343	0.006	4	111.7983	2.724	6	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	4:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	C(CN[5]HH)(CH)	113.8390	0.000	1	113.8390	0.000	1	113.9265	0.015	2	111.7983	2.724	6	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:2:1:1:	4:3:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	C(CN[5]HH)(CH)	114.0140	0.000	1	114.0140	0.000	1	113.9265	0.015	2	111.7983	2.724	6	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:3:2:1:	3:4:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C(CC[6a]N[5]H)(N)	112.2450	0.194	2	112.2450	0.038	2	112.2450	0.038	2	112.2450	0.038	2	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:3:2:1:	5:4:2:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	Si[5,5]-5:C-4:N[5]-2:	C-4:N-1:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	C(CC[6a]N[5]H)(N)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C(CC[6a]N[5]H)(N)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP2	C	N[5]	C	3:4:2:1:	3:3:4:	4:1:	N[5]-3:C-4:C-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-1:	C(N[5]C[5]2)(CH3)(CN)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(CN[5]CH)(N)	C(N[5]C[5]2)(CH3)(CN)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(CN[5]CH)(N)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	111.4812	1.837	42	111.4812	1.837	42
490	542	983	0:SP3_SP1_SP3	C	N[5,6]	C	3:2:1:1:	4:4:4:	4:1:	N[5,6]-3:C-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:N-1:	C(N[5,6]C[5,6]2)(CN)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	C(CN[5,6]HH)(N)	C(N[5,6]C[5,6]2)(CN)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<3>,8|H<1>}	C(CN[5,6]HH)(N)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:2:1:1:	4:4:4:	4:2:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CC[6a])	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C(CN[5]HH)(CC[6a])	116.1120	1.298	2	116.1120	1.685	2	116.1120	1.685	2	116.1120	1.685	2	112.7007	7.842	8	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:3:2:1:	3:4:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C(CC[6a]N[5]H)(N)	111.6020	0.612	2	111.6020	0.375	2	111.6020	0.375	2	111.6020	0.375	2	112.7007	7.842	8	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:3:2:1:	4:3:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:N-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C(CC[6a]N[5]H)(N)	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	112.7007	7.842	8	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:3:2:1:	4:4:4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	C(CC[6a]N[5]H)(CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	C(CC[6a]N[5]H)(CC)	113.1430	0.000	1	113.1430	0.000	1	113.3005	0.050	2	113.3005	0.050	2	112.7007	7.842	8	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:3:2:1:	4:4:4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	C(CC[6a]N[5]H)(CC[6a])	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	C(CC[6a]N[5]H)(CC[6a])	113.4580	0.000	1	113.4580	0.000	1	113.3005	0.050	2	113.3005	0.050	2	112.7007	7.842	8	112.3689	7.853	9
490	542	983	0:SP3_SP1_SP3	C	N[5]	C	3:3:4:2:	3:4:4:	4:1:	N[5]-3:C[6a]-3:C-4:C-2:	C[5,6a]-3:C[5]-4:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C(CC[6a]N[5]C)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C(CC[6a]N[5]C)(N)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	112.7007	7.842	8	112.3689	7.853	9
490	542	992	0:SP3_SP2_SP3	C	N[5]	P	3:4:1:1:	3:3:4:	4:1:1:1:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:O-1:O-1:	C(N[5]C[5]2)(PHOO)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	P(CN[5]HH)(H)(O)2	C(N[5]C[5]2)(PHOO)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	P(CN[5]HH)(H)(O)2	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	113.2170	0.702	4	113.2170	0.702	4
490	542	992	0:SP3_SP2_SP3	C	N[5]	P	3:4:1:1:	3:3:4:	4:2:2:2:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-2:O-2:	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5,6a]O)2(CHHP)	P(CN[5]HH)(OIn)(OC)2	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	P(CN[5]HH)(OIn)(OC)2	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	113.2170	0.702	4	113.2170	0.702	4
490	542	992	0:SP3_SP2_SP3	C	N[5]	P	3:4:1:1:	3:3:4:	4:4:1:1:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:O-1:O-1:	C(N[5]C[5]2)(PCOO)(H)2	N[5](C[5]C[5,6a]O)2(CHHP)	P(CN[5]HH)(CHHN)(O)2	C(N[5]C[5]2)(PCOO)(H)2	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	P(CN[5]HH)(CHHN)(O)2	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	113.2170	0.702	4	113.2170	0.702	4
490	542	992	0:SP3_SP2_SP3	C	N[5]	P	3:4:1:1:	4:3:4:	4:2:2:1:	N[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-2:O-1:	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP)	P(CN[5]HH)(OH)2(O)	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP){2|H<1>}	P(CN[5]HH)(OH)2(O)	113.5480	0.000	1	113.5480	0.000	1	113.5480	0.000	1	113.5480	0.000	1	113.2170	0.702	4	113.2170	0.702	4
490	542	992	0:SP3_SP3_SP3	C	N[5]	P	3:3:4:1:	4:3:4:	4:3:3:1:	N[5]-3:C[6a]-3:P-4:H-1:	C[5]-4:N[5]-3:C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	104.5180	0.607	2	104.5180	0.368	2	104.5180	0.368	2	104.5180	0.368	2	107.2370	22.363	3	107.2370	22.363	3
490	542	992	0:SP3_SP3_SP3	C	N[5]	P	3:3:4:1:	4:4:4:	4:3:3:1:	C[6a]-3:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	107.2370	22.363	3	107.2370	22.363	3
490	562	562	0:SP3_SP3_SP3	C	Si[5]	Si[5]	4:4:1:1:	4:3:3:4:	4:3:3:4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	Si[5]-4:N[5]-3:N[5]-3:C-4:	C(Si[5]Si[5]N[5]2)2(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH)	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH)	C(Si[5]Si[5]N[5]2)2(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH){2|C<4>,4|C<3>}	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH){2|C<4>,4|C<3>}	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1	131.3650	0.000	1
490	562	880	0:SP3_SP3_SP3	C	Si[5]	Si	4:4:1:1:	3:3:4:4:	4:4:4:4:	Si[5]-4:Si-4:H-1:H-1:	Si[5]-3:C[5]-3:C-4:Si-4:	C-4:C-4:C-4:C-4:	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3)	Si(CSi[5]HH)(CC3)2(CH3)	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3){1|Si<4>,1|C<4>}	Si(CSi[5]HH)(CC3)2(CH3)	135.5010	0.000	1	135.5010	0.000	1	135.5010	0.000	1	135.5010	0.000	1	135.5010	0.000	1	135.5010	0.000	1
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,3x6]	H	4:1:1:1:	4:4:4:4:	4:	Si[5,3x6]-4:H-1:H-1:H-1:	Si[5,6,6]-4:Si[5,6,6]-4:Si[6,6]-4:C-4:	C-4:	C(Si[5,3x6]Si[5,6,6]2Si[6,6])(H)3	Si[5,3x6](Si[5,6,6]Si[6,6]Si[5]C)2(Si[6,6]Si[6,6]CC)(CH3)	H(CSi[5,3x6]HH)	C(Si[5,3x6]Si[5,6,6]2Si[6,6])(H)3	Si[5,3x6](Si[5,6,6]Si[6,6]Si[5]C)2(Si[6,6]Si[6,6]CC)(CH3){10|C<4>,1|Si<4>}	H(CSi[5,3x6]HH)	109.4963	0.063	3	109.4963	0.004	3	109.4963	0.004	3	109.4963	0.004	3	109.4963	0.004	3	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,5,6]	H	4:1:1:1:	2:3:3:4:	4:	Si[5,5,6]-4:H-1:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(Si[5,5,6]C[5,6]2O[5,5])(H)3	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3)	H(CSi[5,5,6]HH)	C(Si[5,5,6]C[5,6]2O[5,5])(H)3	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3){2|Si<4>,1|C<4>}	H(CSi[5,5,6]HH)	111.4115	0.731	6	111.4115	0.534	6	111.4115	0.534	6	111.4115	0.534	6	110.7647	1.275	9	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	Si[5,5,6]-4:H-1:H-1:H-1:	Si[5,6]-4:Si[5,6]-4:N[5,5]-3:C-4:	C-4:	C(Si[5,5,6]Si[5,6]2N[5,5])(H)3	Si[5,5,6](Si[5,6]Si[5,6]CC)2(N[5,5]Si[5,5,6]H)(CH3)	H(CSi[5,5,6]HH)	C(Si[5,5,6]Si[5,6]2N[5,5])(H)3	Si[5,5,6](Si[5,6]Si[5,6]CC)2(N[5,5]Si[5,5,6]H)(CH3){5|C<4>}	H(CSi[5,5,6]HH)	109.4710	0.030	3	109.4710	0.001	3	109.4710	0.001	3	109.4710	0.001	3	110.7647	1.275	9	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,5]	H	4:1:1:1:	4:4:3:4:	4:	Si[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C-4:	C(Si[5,5]C[5,5,6]2C[6a])(H)3	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	H(CSi[5,5]HH)	C(Si[5,5]C[5,5,6]2C[6a])(H)3	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	H(CSi[5,5]HH)	109.4407	0.028	3	109.4407	0.001	3	109.4407	0.001	3	109.4407	0.001	3	109.4407	0.001	3	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[5,6,6]-4:H-1:H-1:H-1:	Si[5,3x6]-4:Si[6,6]-4:Si[5]-4:C-4:	C-4:	C(Si[5,6,6]Si[5,3x6]Si[6,6]Si[5])(H)3	Si[5,6,6](Si[5,3x6]Si[5,6,6]Si[6,6]C)(Si[6,6]Si[3x6]CC)(Si[5]Si[5]CC)(CH3)	H(CSi[5,6,6]HH)	C(Si[5,6,6]Si[5,3x6]Si[6,6]Si[5])(H)3	Si[5,6,6](Si[5,3x6]Si[5,6,6]Si[6,6]C)(Si[6,6]Si[3x6]CC)(Si[5]Si[5]CC)(CH3){2|Si<4>,6|C<4>}	H(CSi[5,6,6]HH)	109.4320	0.015	3	109.4320	0.000	3	109.4320	0.000	3	109.4320	0.000	3	109.4320	0.000	3	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[5,6]-4:H-1:H-1:H-1:	Si[5,5,6]-4:Si[5,6]-4:C-4:C-4:	C-4:	C(Si[5,6]Si[5,5,6]Si[5,6]C)(H)3	Si[5,6](Si[5,5,6]Si[5,6]N[5,5]C)(Si[5,6]Si[5,5,6]CC)(CH3)2	H(CSi[5,6]HH)	C(Si[5,6]Si[5,5,6]Si[5,6]C)(H)3	Si[5,6](Si[5,5,6]Si[5,6]N[5,5]C)(Si[5,6]Si[5,5,6]CC)(CH3)2{1|Si<4>,1|H<1>,3|C<4>}	H(CSi[5,6]HH)	109.4630	0.014	5	109.4630	0.000	5	109.4630	0.000	5	109.4665	0.000	8	109.4665	0.000	8	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[5,6]-4:H-1:H-1:H-1:	Si[5,6]-4:Si[5,6]-4:C-4:C-4:	C-4:	C(Si[5,6]Si[5,6]2C)(H)3	Si[5,6](Si[5,6]Si[5]Si[6]Si)2(CH3)2	H(CSi[5,6]HH)	C(Si[5,6]Si[5,6]2C)(H)3	Si[5,6](Si[5,6]Si[5]Si[6]Si)2(CH3)2{9|C<4>}	H(CSi[5,6]HH)	109.4723	0.010	3	109.4723	0.000	3	109.4723	0.000	3	109.4665	0.000	8	109.4665	0.000	8	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	2:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(Si[5]O[5]2C)(H)3	Si[5](O[5]C[5,6])2(CH3)2	H(CSi[5]HH)	C(Si[5]O[5]2C)(H)3	Si[5](O[5]C[5,6])2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4553	0.012	3	109.4553	0.000	3	109.4553	0.000	3	109.4553	0.000	3	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:2:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(Si[5]C[6a]O[5]2)(H)3	Si[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	H(CSi[5]HH)	C(Si[5]C[6a]O[5]2)(H)3	Si[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){2|C<3>,2|H<1>,4|C<4>}	H(CSi[5]HH)	109.4773	0.027	3	109.4773	0.001	3	109.4773	0.001	3	109.4600	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:2:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-2:C-4:	C-4:	C(Si[5]N[5]S[5]S)(H)3	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC[6a])(CH3)	H(CSi[5]HH)	C(Si[5]N[5]S[5]S)(H)3	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC[6a])(CH3){2|C<3>}	H(CSi[5]HH)	109.4430	0.014	3	109.4430	0.000	3	109.4430	0.000	3	109.4600	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:2:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:Se-2:C-4:	C-4:	C(Si[5]N[5]S[5]Se)(H)3	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SeC[6a])(CH3)	H(CSi[5]HH)	C(Si[5]N[5]S[5]Se)(H)3	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SeC[6a])(CH3){2|C<3>}	H(CSi[5]HH)	109.4597	0.046	3	109.4597	0.002	3	109.4597	0.002	3	109.4600	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:2:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:O-2:	C-4:	C(Si[5]N[5]O[5]O)(H)3	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC)	H(CSi[5]HH)	C(Si[5]N[5]O[5]O)(H)3	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC){1|C<4>}	H(CSi[5]HH)	109.4553	0.037	3	109.4553	0.001	3	109.4553	0.001	3	109.4553	0.001	3	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|F<1>,1|O<2>,3|C<3>}	H(CSi[5]HH)	109.4711	0.029	7	109.4748	0.001	17	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(CSi[5]HH)	109.4774	0.031	10	109.4748	0.001	17	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|F<1>,1|O<2>,2|C<3>}	H(CSi[5]HH)	109.4675	0.013	4	109.4740	0.001	13	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|H<1>,4|C<3>}	H(CSi[5]HH)	109.4769	0.041	9	109.4740	0.001	13	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(CSi[5]HH)	109.4703	0.016	3	109.4663	0.001	11	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|F<1>,1|O<1>,2|C<3>}	H(CSi[5]HH)	109.4590	0.021	2	109.4663	0.001	11	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	H(CSi[5]HH)	109.4667	0.036	6	109.4663	0.001	11	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4902	0.119	48	109.5054	0.018	54	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]O[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.6268	0.206	6	109.5054	0.018	54	109.4911	0.011	95	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<2>,1|C<4>,2|C<3>}	H(CSi[5]HH)	109.4450	0.017	5	109.4648	0.002	16	109.4648	0.002	16	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<4>,3|C<3>}	H(CSi[5]HH)	109.4855	0.060	6	109.4648	0.002	16	109.4648	0.002	16	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4598	0.034	5	109.4648	0.002	16	109.4648	0.002	16	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	H(CSi[5]HH)	109.4970	0.030	5	109.4970	0.001	5	109.4970	0.001	5	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]N[5]O[5]C)(H)3	Si[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	H(CSi[5]HH)	C(Si[5]N[5]O[5]C)(H)3	Si[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4655	0.015	4	109.4655	0.000	4	109.4802	0.001	8	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]N[5]O[5]C)(H)3	Si[5](N[5]C[5]C)(O[5]P[5])(CH3)2	H(CSi[5]HH)	C(Si[5]N[5]O[5]C)(H)3	Si[5](N[5]C[5]C)(O[5]P[5])(CH3)2{1|C<4>,1|O<1>,1|W<6>}	H(CSi[5]HH)	109.4950	0.033	4	109.4950	0.001	4	109.4802	0.001	8	109.4873	0.009	124	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:3:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(Si[5]C[5,5a]C[5,6a]C[6a])(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5,6a]C[6a])(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|N<3>,3|H<1>,6|C<3>}	H(CSi[5]HH)	109.4968	0.037	6	109.4968	0.001	6	109.4968	0.001	6	109.4899	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:3:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(Si[5]C[6a]C[5]2)(H)3	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	H(CSi[5]HH)	C(Si[5]C[6a]C[5]2)(H)3	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	H(CSi[5]HH)	109.4760	0.026	3	109.4760	0.001	3	109.4760	0.001	3	109.4899	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:3:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	H(CSi[5]HH)	109.4767	0.025	9	109.4767	0.001	9	109.4767	0.001	9	109.4767	0.001	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	H(CSi[5]HH)	109.4835	0.034	13	109.4802	0.001	31	109.4802	0.001	31	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	H(CSi[5]HH)	109.4770	0.029	9	109.4802	0.001	31	109.4802	0.001	31	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|Se<2>,1|H<1>,4|C<3>}	H(CSi[5]HH)	109.4788	0.032	9	109.4802	0.001	31	109.4802	0.001	31	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2{1|Cl<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	110.5915	1.999	12	110.5915	3.996	12	109.8133	1.434	39	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|Si<4>,1|N<3>,4|C<3>}	H(CSi[5]HH)	109.4674	0.041	27	109.4674	0.002	27	109.8133	1.434	39	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]2C)(H)3	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]2C)(H)3	Si[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(CH3)2{1|Si<4>,1|S<2>,3|C<3>}	H(CSi[5]HH)	109.4607	0.036	37	109.4607	0.001	37	109.4635	0.001	42	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]2C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]2C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])2(CH3)2{2|S<2>,4|C<3>}	H(CSi[5]HH)	109.4844	0.036	5	109.4844	0.001	5	109.4635	0.001	42	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]C[5,6a]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5,6a]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	H(CSi[5]HH)	109.4761	0.015	8	109.4761	0.000	8	109.4761	0.000	8	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2{1|Si<4>,1|C<2>,1|C<3>,1|S<2>}	H(CSi[5]HH)	109.4718	0.021	4	109.4718	0.000	4	109.4740	0.001	10	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2{1|S<2>,5|C<3>}	H(CSi[5]HH)	109.4755	0.032	6	109.4755	0.001	6	109.4740	0.001	10	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(CSi[5]HH)	109.4815	0.034	6	109.4672	0.001	11	109.4672	0.001	11	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6,6]C[5,6a]C)(H)3	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,2|C<4>,4|C<3>}	H(CSi[5]HH)	109.4500	0.034	5	109.4672	0.001	11	109.4672	0.001	11	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	H(CSi[5]HH)	109.4724	0.052	19	109.4724	0.003	19	109.4703	0.002	67	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{1|H<1>,5|C<3>}	H(CSi[5]HH)	109.4698	0.043	8	109.4694	0.001	48	109.4703	0.002	67	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|F<1>,4|C<3>}	H(CSi[5]HH)	109.4793	0.018	3	109.4694	0.001	48	109.4703	0.002	67	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]2C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	H(CSi[5]HH)	109.4685	0.032	37	109.4694	0.001	48	109.4703	0.002	67	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	H(CSi[5]HH)	109.4762	0.017	10	109.4762	0.000	10	109.7391	1.405	44	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	H(CSi[5]HH)	109.4650	0.024	4	109.9241	2.329	26	109.7391	1.405	44	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	H(CSi[5]HH)	110.0076	1.651	22	109.9241	2.329	26	109.7391	1.405	44	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4663	0.021	8	109.4663	0.000	8	109.7391	1.405	44	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]2)2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]2)2(CH3)2{2|Fe<10>,2|C<3>,4|C<4>}	H(CSi[5]HH)	109.4836	0.019	5	109.4836	0.000	5	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]B)2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]B)2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.5072	0.031	5	109.5072	0.001	5	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]C)2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]C)2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4650	0.204	6	109.4650	0.042	6	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2{1|Si<4>,1|H<1>}	H(CSi[5]HH)	109.4998	0.024	5	109.4998	0.001	5	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4700	0.006	2	109.4700	0.000	2	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4396	0.040	5	109.4396	0.002	5	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])2(CH3)2{6|C<3>}	H(CSi[5]HH)	109.3386	1.200	45	109.3386	1.440	45	109.3920	0.888	73	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:P[5]-3:C-4:C-4:	C-4:	C(Si[5]N[5]P[5]C)(H)3	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2	H(CSi[5]HH)	C(Si[5]N[5]P[5]C)(H)3	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2{1|C<4>,2|N<3>}	H(CSi[5]HH)	109.4628	0.030	6	109.4628	0.001	6	109.4628	0.001	6	109.5293	0.564	331	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:3:	4:	Si[5]-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-3:	C-4:	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH)	H(CSi[5]HH)	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH){2|C<4>,2|H<1>}	H(CSi[5]HH)	106.8590	1.971	3	106.8590	3.884	3	106.8590	3.884	3	106.8590	3.884	3	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	H(CSi[5]HH)	109.4652	0.039	5	109.4652	0.001	5	109.4652	0.001	5	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	H(CSi[5]HH)	109.4782	0.018	5	109.4782	0.000	5	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|Fe<11>,1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4587	0.052	8	109.4699	0.002	17	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4790	0.024	4	109.4699	0.002	17	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	H(CSi[5]HH)	109.4804	0.028	5	109.4699	0.002	17	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|I<1>}	H(CSi[5]HH)	109.5043	0.021	3	109.4804	0.001	9	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	H(CSi[5]HH)	109.4685	0.031	6	109.4804	0.001	9	109.4743	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Fe)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	H(CSi[5]HH)	109.4629	0.039	7	109.4629	0.002	7	110.3999	6.337	37	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	H(CSi[5]HH)	109.1283	0.738	6	109.1283	0.544	6	110.3999	6.337	37	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	H(CSi[5]HH)	110.9910	2.958	24	110.9910	8.747	24	110.3999	6.337	37	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	H(CSi[5]HH)	109.4594	0.032	5	109.4594	0.001	5	109.4681	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(CSi[5]HH)	109.4758	0.023	4	109.4758	0.001	4	109.4681	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4687	0.039	22	109.4687	0.002	22	109.4681	0.001	31	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]Si[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]Si[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]Si[5]Pd)(CH3)2{3|H<1>,4|C<3>}	H(CSi[5]HH)	109.4770	0.025	4	109.4770	0.001	4	109.4757	0.002	28	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5,6a]Si[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6a]Si[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]HH)	109.4755	0.043	24	109.4755	0.002	24	109.4757	0.002	28	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	H(CSi[5]HH)	109.4677	0.010	3	109.4756	0.000	7	109.4756	0.000	7	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	H(CSi[5]HH)	109.4815	0.027	4	109.4756	0.000	7	109.4756	0.000	7	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-3:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]C[5]C)(H)3	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]C[5]C)(H)3	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2{2|C<4>,3|C<3>}	H(CSi[5]HH)	109.4738	0.018	6	109.4738	0.000	6	109.4738	0.000	6	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	H(CSi[5]HH)	109.5185	0.130	20	109.5185	0.017	20	109.4891	0.011	41	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,4|C<4>}	H(CSi[5]HH)	109.4611	0.070	21	109.4611	0.005	21	109.4891	0.011	41	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2{1|Co<7>,1|H<1>,2|C<4>}	H(CSi[5]HH)	109.4814	0.038	5	109.4814	0.001	5	109.4814	0.001	5	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	N[5]-3:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]N[5]C)(H)3	Si[5](N[5]C[6a]Ge[5])(Si[5]N[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]N[5]C)(H)3	Si[5](N[5]C[6a]Ge[5])(Si[5]N[5]CC)(CH3)2{3|C<3>}	H(CSi[5]HH)	109.4775	0.029	8	109.4775	0.001	8	109.4775	0.001	8	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CSi[5]HH)	112.1815	3.520	6	112.1815	12.393	6	109.1091	39.180	28	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	3:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	H(CSi[5]HH)	108.2712	6.633	22	108.2712	43.990	22	109.1091	39.180	28	109.5822	5.838	227	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,5,6]O[5]C)(H)3	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5,6]O[5]C)(H)3	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	H(CSi[5]HH)	109.4675	0.023	6	109.4675	0.001	6	109.4675	0.001	6	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2{1|N<3>,2|C<4>,3|C<3>}	H(CSi[5]HH)	109.4442	0.029	4	109.4442	0.001	4	109.4442	0.001	4	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6]O[5]C)(H)3	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]O[5]C)(H)3	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(CSi[5]HH)	109.4850	0.025	6	109.4850	0.001	6	109.4733	0.001	10	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6]O[5]C)(H)3	Si[5](C[5,6]C[5,6]C[6]Cr)(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,6]O[5]C)(H)3	Si[5](C[5,6]C[5,6]C[6]Cr)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(CSi[5]HH)	109.4557	0.027	4	109.4557	0.001	4	109.4733	0.001	10	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>}	H(CSi[5]HH)	109.4812	0.022	10	109.4789	0.001	20	109.0280	2.129	31	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<4>}	H(CSi[5]HH)	109.4765	0.032	10	109.4789	0.001	20	109.0280	2.129	31	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2{4|C<3>}	H(CSi[5]HH)	109.4712	0.028	5	109.4712	0.001	5	109.0280	2.129	31	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:2:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2{2|C<4>}	H(CSi[5]HH)	107.1557	2.749	6	107.1557	7.557	6	109.0280	2.129	31	109.1996	1.325	51	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:3:3:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[6]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(Si[5]Si[6]N[5]2)(H)3	Si[5](Si[6]N[6]O[6]C)(N[5]C[6a]C[5])2(CH3)	H(CSi[5]HH)	C(Si[5]Si[6]N[5]2)(H)3	Si[5](Si[6]N[6]O[6]C)(N[5]C[6a]C[5])2(CH3){1|C<4>,4|H<1>,6|C<3>}	H(CSi[5]HH)	109.4425	0.052	2	109.4425	0.003	2	109.4425	0.003	2	109.4425	0.003	2	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:3:4:2:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(Si[5]C[5]2O)(H)3	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	H(CSi[5]HH)	C(Si[5]C[5]2O)(H)3	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	H(CSi[5]HH)	109.4627	0.034	6	109.4627	0.001	6	109.4627	0.001	6	109.4627	0.001	6	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	H(CSi[5]HH)	111.1377	3.425	12	111.1377	11.733	12	110.5831	8.245	18	109.8355	2.874	55	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	H(CSi[5]HH)	109.4740	0.080	6	109.4740	0.006	6	110.5831	8.245	18	109.8355	2.874	55	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:3:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	H(CSi[5]HH)	109.4718	0.043	37	109.4718	0.002	37	109.4718	0.002	37	109.8355	2.874	55	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2{1|B<7>,4|B<6>}	H(CSi[5]HH)	109.4555	0.024	6	109.4555	0.001	6	109.4638	0.001	23	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5,6a]HH)2(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4722	0.040	9	109.4722	0.002	9	109.4638	0.001	23	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(CSi[5]HH)	109.4605	0.035	8	109.4605	0.001	8	109.4638	0.001	23	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[4,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[4,5]Si[5]C)(H)3	Si[5](Ge[4,5]Ge[4,5]2Si)(Si[5]Ge[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[4,5]Si[5]C)(H)3	Si[5](Ge[4,5]Ge[4,5]2Si)(Si[5]Ge[5]CC)(CH3)2{1|Ge<4>,5|Si<4>}	H(CSi[5]HH)	109.4782	0.047	5	109.4782	0.002	5	109.4782	0.002	5	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[5,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[5,5]Si[5]C)(H)3	Si[5](Ge[5,5]Si[5]C[5]2)(Si[5]C[5]Si2)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[5,5]Si[5]C)(H)3	Si[5](Ge[5,5]Si[5]C[5]2)(Si[5]C[5]Si2)(CH3)2{3|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CSi[5]HH)	109.4868	0.029	5	109.4868	0.001	5	109.4868	0.001	5	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[4,5]Si2)(Si[5]Ge[4,5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[4,5]Si2)(Si[5]Ge[4,5]CC)(CH3)2{2|Ge<4>,2|Si<4>}	H(CSi[5]HH)	109.5066	0.041	5	109.5066	0.002	5	109.4794	0.002	28	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2{1|Br<1>,3|Si<4>}	H(CSi[5]HH)	109.4724	0.040	8	109.4735	0.002	23	109.4794	0.002	28	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2{2|Si<4>,1|C<3>}	H(CSi[5]HH)	109.4828	0.038	9	109.4735	0.002	23	109.4794	0.002	28	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Ge[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Ge[5]Si[5]C)(H)3	Si[5](Ge[5]Ge[5]Si2)(Si[5]Ge[5]CC)(CH3)2{2|Si<4>,1|P<4>}	H(CSi[5]HH)	109.4612	0.074	6	109.4735	0.002	23	109.4794	0.002	28	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[4,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<2>,1|C<3>}	H(CSi[5]HH)	109.4584	0.031	5	109.4584	0.001	5	109.4692	0.002	17	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[4,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<4>}	H(CSi[5]HH)	109.4677	0.034	6	109.4677	0.001	6	109.4692	0.002	17	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[4,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[4,5]Si[5]C)(H)3	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2{1|Ge<4>,5|Si<4>}	H(CSi[5]HH)	109.4798	0.067	6	109.4798	0.005	6	109.4692	0.002	17	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5,5]C[5]C)(H)3	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5,5]C[5]C)(H)3	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2{2|Si<4>,5|C<4>}	H(CSi[5]HH)	109.4679	0.037	10	109.4679	0.001	10	109.4679	0.001	10	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5,5]Si[5]C)(H)3	Si[5](Si[5,5]Si[5,5]Si[5]Si)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5,5]Si[5]C)(H)3	Si[5](Si[5,5]Si[5,5]Si[5]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,4|C<4>}	H(CSi[5]HH)	109.4553	0.059	16	109.4553	0.004	16	109.4631	0.003	31	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5,5]Si[5]C)(H)3	Si[5](Si[5,5]Si[5]3)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5,5]Si[5]C)(H)3	Si[5](Si[5,5]Si[5]3)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,8|C<4>}	H(CSi[5]HH)	109.4714	0.054	15	109.4714	0.003	15	109.4631	0.003	31	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,6,6]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5,6,6]Si[5]C)(H)3	Si[5](Si[5,6,6]Si[5,3x6]Si[6,6]C)(Si[5]Si[5,6,6]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5,6,6]Si[5]C)(H)3	Si[5](Si[5,6,6]Si[5,3x6]Si[6,6]C)(Si[5]Si[5,6,6]CC)(CH3)2{3|Si<4>,4|C<4>}	H(CSi[5]HH)	109.4651	0.050	8	109.4651	0.003	8	109.4651	0.003	8	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,6]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5,6]Si[5]C)(H)3	Si[5](Si[5,6]Si[5,6]Si[6]Si)(Si[5]Si[5,6]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5,6]Si[5]C)(H)3	Si[5](Si[5,6]Si[5,6]Si[6]Si)(Si[5]Si[5,6]CC)(CH3)2{2|Si<4>,5|C<4>}	H(CSi[5]HH)	109.4658	0.031	6	109.4658	0.001	6	109.4658	0.001	6	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]C[5,6a]CC)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]C[5,6a]CC)2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4684	0.038	17	109.4684	0.001	17	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]C[5]CC)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]C[5]CC)2(CH3)2{2|C<3>}	H(CSi[5]HH)	109.4868	0.033	4	109.4868	0.001	4	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[3,5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[3,5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,2|C<3>}	H(CSi[5]HH)	109.4802	0.030	10	109.4802	0.001	10	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2{1|Ge<4>,3|Si<4>}	H(CSi[5]HH)	109.4860	0.049	5	109.4784	0.001	12	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2{2|Si<4>,1|C<4>,1|O<2>}	H(CSi[5]HH)	109.4673	0.022	3	109.4784	0.001	12	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[4,5]Si2)(Si[5]Si[4,5]CC)(CH3)2{2|Si<4>,2|C<3>}	H(CSi[5]HH)	109.4772	0.020	4	109.4784	0.001	12	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5,5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5,5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,2|O<2>}	H(CSi[5]HH)	109.4439	0.032	7	109.4439	0.001	7	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{1|Cu<2>,2|Si<4>,1|C<2>}	H(CSi[5]HH)	109.4789	0.044	10	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{1|Hf<12>,2|Si<4>}	H(CSi[5]HH)	109.4767	0.053	8	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{1|Ti<12>,2|Si<4>}	H(CSi[5]HH)	109.4978	0.064	10	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{1|Zr<12>,2|Si<4>}	H(CSi[5]HH)	109.4522	0.067	10	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Cl<1>,2|Si<4>}	H(CSi[5]HH)	109.4620	0.023	4	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,1|C<3>}	H(CSi[5]HH)	109.4758	0.045	8	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,1|P<4>}	H(CSi[5]HH)	109.4782	0.029	6	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Ge[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,2|Te<3>}	H(CSi[5]HH)	109.4781	0.042	8	109.4758	0.003	64	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]S[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]S[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>}	H(CSi[5]HH)	109.4760	0.040	3	109.4760	0.002	3	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Se[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Se[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Si<4>}	H(CSi[5]HH)	109.4692	0.032	5	109.4692	0.001	5	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[3,5]CC)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[3,5]CC)(Si[5]Si[5]CC)(CH3)2{2|Si<3>,2|C<4>}	H(CSi[5]HH)	109.5004	0.038	8	109.5004	0.001	8	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5,5]CC)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5,5]CC)(Si[5]Si[5]CC)(CH3)2{2|Si<4>,2|C<4>}	H(CSi[5]HH)	109.4693	0.045	13	109.4693	0.002	13	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5,5]CC)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5,5]CC)2(CH3)2{4|Si<4>}	H(CSi[5]HH)	109.4550	0.061	13	109.4550	0.004	13	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]2Si)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]2Si)(Si[5]Si[5]CC)(CH3)2{1|Si<3>,5|Si<4>}	H(CSi[5]HH)	109.5060	0.022	4	109.5060	0.000	4	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]CC)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]CC)2(CH3)2{2|Si<4>,2|C<4>}	H(CSi[5]HH)	109.4710	0.026	7	109.4710	0.001	7	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Br<1>,2|Si<4>}	H(CSi[5]HH)	109.4617	0.047	4	109.4728	0.002	33	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2{2|Cl<1>,2|Si<4>}	H(CSi[5]HH)	109.4630	0.030	5	109.4728	0.002	33	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2{3|Si<4>}	H(CSi[5]HH)	109.4775	0.041	14	109.4728	0.002	33	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(CH3)2{4|C<4>}	H(CSi[5]HH)	109.4755	0.047	10	109.4728	0.002	33	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]SiC)(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]SiC)(CH3)2{2|Si<4>,2|C<4>}	H(CSi[5]HH)	109.4943	0.051	6	109.4943	0.003	6	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)2(CH3)2{1|Si<4>,3|C<4>}	H(CSi[5]HH)	109.5018	0.060	6	109.4917	0.003	11	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:C-4:C-4:	C-4:	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)2(CH3)2	H(CSi[5]HH)	C(Si[5]Si[5]2C)(H)3	Si[5](Si[5]Si[5]Si2)2(CH3)2{2|Si<4>}	H(CSi[5]HH)	109.4796	0.038	5	109.4917	0.003	11	109.4751	0.002	217	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	4:4:4:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5]-4:Si[5]-4:Si-4:C-4:	C-4:	C(Si[5]Si[5]2Si)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(SiSiCC)(CH3)	H(CSi[5]HH)	C(Si[5]Si[5]2Si)(H)3	Si[5](Si[5]Si[5]Si2)(Si[5]Si[5]CC)(SiSiCC)(CH3){2|Si<4>,2|C<4>}	H(CSi[5]HH)	109.4467	0.011	3	109.4467	0.000	3	109.4467	0.000	3	109.4728	0.002	353	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:1:1:1:	5:3:3:4:	4:	Si[5]-4:H-1:H-1:H-1:	Si[5,6]-5:N[5]-3:N[5]-3:C-4:	C-4:	C(Si[5]Si[5,6]N[5]2)(H)3	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3)	H(CSi[5]HH)	C(Si[5]Si[5,6]N[5]2)(H)3	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3){4|H<1>,8|C<3>}	H(CSi[5]HH)	109.4535	0.035	2	109.4535	0.001	2	109.4535	0.001	2	109.4535	0.001	2	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	3:2:2:4:	4:	Si[5]-4:C-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-2:C-4:	C-4:	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH)	H(CSi[5]CH)	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CSi[5]CH)	107.9255	0.012	2	107.9255	0.000	2	107.9255	0.000	2	107.9255	0.000	2	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	3:3:4:1:	4:	Si[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C-4:	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl)	H(CSi[5]CH)	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl){1|C<4>,1|H<1>,4|C<3>}	H(CSi[5]CH)	109.3315	0.023	2	109.3315	0.001	2	109.3315	0.001	2	109.3315	0.001	2	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	3:3:4:4:	4:	Si[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,6a]2C)(CH3)(H)2	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2	H(CSi[5]CH)	C(Si[5]C[5,6a]2C)(CH3)(H)2	Si[5](C[5,6a]C[5,6a,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CSi[5]CH)	108.3720	0.145	3	108.3720	0.021	3	108.3720	0.021	3	107.1396	6.892	7	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	3:3:4:4:	4:	Si[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C-4:	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	H(CSi[5]CH)	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	H(CSi[5]CH)	109.1020	0.008	2	109.1020	0.000	2	109.1020	0.000	2	107.1396	6.892	7	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	3:3:4:4:	4:	Si[5]-4:Si-4:H-1:H-1:	Si[5]-3:C[5]-3:C-4:Si-4:	C-4:	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3)	H(CSi[5]SiH)	C(Si[5]Si[5]C[5]Si)(SiC3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3){1|Si<4>,1|C<4>}	H(CSi[5]SiH)	103.3285	0.006	2	103.3285	0.000	2	103.3285	0.000	2	107.1396	6.892	7	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	4:3:3:4:	4:	Si[5]-4:C-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	Si[5](Si[5]N[5]2Cl)(N[5]C[5,6a]C)2(CCHH)	H(CSi[5]CH)	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	Si[5](Si[5]N[5]2Cl)(N[5]C[5,6a]C)2(CCHH){2|C<4>,4|C<3>}	H(CSi[5]CH)	108.4725	0.045	2	108.4725	0.002	2	108.4725	0.002	2	105.7618	4.411	6	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:1:1:	4:3:3:4:	4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(Si[5]Si[5]N[5]2)2(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH)	H(CSi[5]2H)	C(Si[5]Si[5]N[5]2)2(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH){2|C<4>,4|C<3>}	H(CSi[5]2H)	104.4065	0.057	4	104.4065	0.003	4	104.4065	0.003	4	105.7618	4.411	6	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCCH)2{1|H<1>,2|C<3>,2|C<4>}	H(CSi[5]CC)	107.0980	0.431	4	107.0980	0.186	4	107.0980	0.186	4	107.2049	0.178	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(CH3)2(H)	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5]O[5]C)(CH3)2(H)	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2{2|C<3>,2|H<1>}	H(CSi[5]CC)	107.0185	0.035	2	107.0185	0.001	2	107.0185	0.001	2	107.2049	0.178	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	P[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2{3|Si<4>,2|C<4>}	H(CSi[5]CC)	107.2830	0.569	2	107.2830	0.323	2	107.4717	0.268	3	107.2049	0.178	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	P[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2{2|P<3>,4|C<4>}	H(CSi[5]CC)	107.8490	0.000	1	107.8490	0.000	1	107.4717	0.268	3	107.2049	0.178	9	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2{2|Si<4>,4|C<3>}	H(CSi[5]CC)	107.1930	0.000	1	106.3953	3.935	4	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2{3|Si<4>,3|C<3>}	H(CSi[5]CC)	105.6330	3.079	2	106.3953	3.935	4	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]2)2(CCCH)2{4|Si<4>,2|C<3>}	H(CSi[5]CC)	107.1220	0.000	1	106.3953	3.935	4	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	H(CSi[5]CC)	106.8345	1.134	4	107.4006	1.250	8	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	H(CSi[5]CC)	107.9668	0.880	4	107.4006	1.250	8	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2{2|C<4>,4|C<3>}	H(CSi[5]CC)	106.8925	0.370	2	106.8925	0.137	2	107.0408	1.803	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:3:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCCH)2{1|H<1>,1|N<3>,4|C<3>}	H(CSi[5]CC)	105.6331	2.773	14	105.6331	7.688	14	105.6331	7.688	14	106.3370	5.083	28	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:4:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Br<1>,4|C<3>}	H(CSi[5]CC)	106.3955	1.065	4	106.4390	0.739	8	106.4390	0.739	8	106.4390	0.739	8	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	3:4:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Cl<1>,4|C<3>}	H(CSi[5]CC)	106.4825	0.764	4	106.4390	0.739	8	106.4390	0.739	8	106.4390	0.739	8	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	4:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2{1|H<1>,4|C<4>}	H(CSi[5]CC)	106.5607	0.873	4	106.5607	0.761	4	106.5607	0.761	4	104.8891	4.951	14	109.3181	2.241	1263	109.3301	2.219	1289
490	562	951	0:SP3_SP-NON_SP3	C	Si[5]	H	4:4:4:1:	4:2:4:4:	4:	Si[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(Si[5]C[5]O[5]C)(CH3)2(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2	H(CSi[5]CC)	C(Si[5]C[5]O[5]C)(CH3)2(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2{1|C<4>,3|H<1>}	H(CSi[5]CC)	104.2204	2.271	10	104.2204	5.159	10	104.2204	5.159	10	104.8891	4.951	14	109.3181	2.241	1263	109.3301	2.219	1289
490	598	762	0:SP3_SP2_SP2	C	Si[4]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:Si[4]-3:H-1:H-1:	N[4]-3:N[4]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	Si[4](N[4]C[4]C)2(CC[6]HH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	Si[4](N[4]C[4]C)2(CC[6]HH){1|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1
490	598	880	0:SP3_SP2_SP3	C	Si[4]	Si	3:4:4:4:	3:3:4:	4:4:4:4:	Si[4]-3:Si-4:Si-4:Si-4:	N[4]-3:N[4]-3:C-4:	C-4:C-4:C-4:C-4:	C(Si[4]N[4]2)(SiC3)3	Si[4](N[4]C[4]C)2(CSi3)	Si(CSi[4]Si2)(CH3)3	C(Si[4]N[4]2)(SiC3)3	Si[4](N[4]C[4]C)2(CSi3){1|C<3>}	Si(CSi[4]Si2)(CH3)3	110.9107	7.012	3	110.9107	49.162	3	110.9107	49.162	3	110.9107	49.162	3	110.9107	49.162	3	110.9107	49.162	3
490	598	951	0:SP3_SP-NON_SP2	C	Si[4]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:Si[4]-3:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C-4:	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	Si[4](N[4]C[4]C)2(CC[6]HH)	H(CSi[4]C[6]H)	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	Si[4](N[4]C[4]C)2(CC[6]HH){1|C<3>}	H(CSi[4]C[6]H)	105.7975	4.936	2	105.7975	24.367	2	105.7975	24.367	2	105.7975	24.367	2	105.7975	24.367	2	105.7975	24.367	2
490	606	880	0:SP3_SP3_SP3	C	Ge[5]	Si	4:4:4:1:	3:2:4:4:	4:4:4:4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5,6]-3:O[5]-2:C-4:C-4:	C-4:C-4:C-4:C-4:	C(Ge[5]C[5,6]O[5]C)(SiC3)2(H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2	Si(CGe[5]SiH)(CH3)3	C(Ge[5]C[5,6]O[5]C)(SiC3)2(H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2{1|C<3>,1|H<1>,2|C<4>}	Si(CGe[5]SiH)(CH3)3	113.3225	0.584	4	113.3225	0.342	4	113.3225	0.342	4	113.7215	1.525	8	114.1950	17.125	19	114.1950	17.125	19
490	606	880	0:SP3_SP3_SP3	C	Ge[5]	Si	4:4:4:1:	3:2:4:4:	4:4:4:4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5]-3:P[5]-2:C-4:C-4:	C-4:C-4:C-4:C-4:	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2	Si(CGe[5]SiH)(CH3)3	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2{1|C<4>,1|W<6>}	Si(CGe[5]SiH)(CH3)3	114.1205	1.671	4	114.1205	2.792	4	114.1205	2.792	4	113.7215	1.525	8	114.1950	17.125	19	114.1950	17.125	19
490	606	880	0:SP3_SP3_SP3	C	Ge[5]	Si	4:4:4:1:	3:3:4:4:	4:4:4:4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5]-3:P[5]-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2	Si(CGe[5]SiH)(CH3)3	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2{1|C<4>,1|W<6>}	Si(CGe[5]SiH)(CH3)3	114.8230	1.154	4	114.8230	1.333	4	114.8230	1.333	4	114.8230	1.333	4	114.1950	17.125	19	114.1950	17.125	19
490	606	880	0:SP3_SP3_SP3	C	Ge[5]	Si	4:4:4:1:	3:4:4:4:	4:4:4:4:	Ge[5]-4:Si-4:Si-4:H-1:	P[5,6]-3:C[5]-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(Ge[5]P[5,6]C[5]C)(SiC3)2(H)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2	Si(CGe[5]SiH)(CH3)3	C(Ge[5]P[5,6]C[5]C)(SiC3)2(H)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2{1|C<4>,1|P<3>,2|C<3>}	Si(CGe[5]SiH)(CH3)3	119.2155	4.853	4	119.2155	23.555	4	119.2155	23.555	4	119.2155	23.555	4	114.1950	17.125	19	114.1950	17.125	19
490	606	880	0:SP3_SP3_SP3	C	Ge[5]	Si	4:4:4:4:	4:2:4:2:	4:4:4:4:	Ge[5]-4:Si-4:Si-4:Si-4:	C[5]-4:O[5]-2:C-4:O-2:	C-4:C-4:C-4:C-4:	C(Ge[5]C[5]O[5]O)(SiC3)3	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC)	Si(CGe[5]Si2)(CH3)3	C(Ge[5]C[5]O[5]O)(SiC3)3	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC){1|C<4>,1|H<1>}	Si(CGe[5]Si2)(CH3)3	107.9263	0.643	3	107.9263	0.413	3	107.9263	0.413	3	107.9263	0.413	3	114.1950	17.125	19	114.1950	17.125	19
490	606	930	0:SP3_SP2_SP3	C	Ge[5]	C	4:3:1:1:	4:4:3:4:	4:4:3:	Ge[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C-4:C-4:C-3:	C(Ge[5]C[5]2N)(CCC)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	C(CGe[5]HH)(CH3)(CCC)	C(Ge[5]C[5]2N)(CCC)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	C(CGe[5]HH)(CH3)(CCC)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5,5]	H	4:1:1:1:	4:4:4:4:	4:	Ge[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(Ge[5,5]C[5,5,6]2C)(H)3	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2	H(CGe[5,5]HH)	C(Ge[5,5]C[5,5,6]2C)(H)3	Ge[5,5](C[5,5,6]C[5,6,6a]2H)2(CH3)2{4|C<3>}	H(CGe[5,5]HH)	109.4758	0.035	5	109.4758	0.001	5	109.4758	0.001	5	109.4758	0.001	5	109.4684	0.001	9	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5,5]	H	4:1:1:1:	5:4:4:4:	4:	Ge[5,5]-4:H-1:H-1:H-1:	C[3x3,4,5x5,14x6]-5:Ge[5,5]-4:C-4:C-4:	C-4:	C(Ge[5,5]C[3x3,4,5x5,14x6]Ge[5,5]C)(H)3	Ge[5,5](C[3x3,4,5x5,14x6]B[4x3,4,6x5,21x6]2B[5x3,4x5,17x6]2)(Ge[5,5]C[3x3,4,5x5,14x6]CC)(CH3)2	H(CGe[5,5]HH)	C(Ge[5,5]C[3x3,4,5x5,14x6]Ge[5,5]C)(H)3	Ge[5,5](C[3x3,4,5x5,14x6]B[4x3,4,6x5,21x6]2B[5x3,4x5,17x6]2)(Ge[5,5]C[3x3,4,5x5,14x6]CC)(CH3)2{4|H<1>,5|B<6>}	H(CGe[5,5]HH)	109.4592	0.025	4	109.4592	0.001	4	109.4592	0.001	4	109.4592	0.001	4	109.4684	0.001	9	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	3:3:4:2:	4:	Ge[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-2:	C-4:	C(Ge[5]N[5]2O)(H)3	Ge[5](N[5]C[5]C)2(CH3)(OB)	H(CGe[5]HH)	C(Ge[5]N[5]2O)(H)3	Ge[5](N[5]C[5]C)2(CH3)(OB){2|C<3>}	H(CGe[5]HH)	109.5117	0.024	3	109.5117	0.001	3	109.5117	0.001	3	109.5117	0.001	3	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	3:3:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(Ge[5]C[5,6a]2C)(H)3	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2	H(CGe[5]HH)	C(Ge[5]C[5,6a]2C)(H)3	Ge[5](C[5,6a]C[5,6a,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	H(CGe[5]HH)	109.4697	0.055	17	109.4697	0.003	17	109.4697	0.003	17	109.4694	0.002	22	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	3:3:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C-4:	C(Ge[5]N[5,6]2C)(H)3	Ge[5](N[5,6]C[5,6]C[6])2(CH3)2	H(CGe[5]HH)	C(Ge[5]N[5,6]2C)(H)3	Ge[5](N[5,6]C[5,6]C[6])2(CH3)2{2|H<1>,4|C<3>}	H(CGe[5]HH)	109.4682	0.030	5	109.4682	0.001	5	109.4682	0.001	5	109.4694	0.002	22	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	3:4:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	C[5]-3:Ge[5]-4:C-4:C-4:	C-4:	C(Ge[5]Ge[5]C[5]C)(H)3	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2	H(CGe[5]HH)	C(Ge[5]Ge[5]C[5]C)(H)3	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CGe[5]HH)	109.4328	0.664	6	109.4328	0.441	6	109.4328	0.441	6	109.4328	0.441	6	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	4:3:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:C-4:	C-4:	C(Ge[5]Ge[5]C[5]C)(H)3	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2	H(CGe[5]HH)	C(Ge[5]Ge[5]C[5]C)(H)3	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2{1|C<3>,2|C<4>}	H(CGe[5]HH)	109.3507	0.734	6	109.3507	0.539	6	109.3507	0.539	6	109.3507	0.539	6	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	4:4:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	Ge[5]-4:Ge[5]-4:C-4:C-4:	C-4:	C(Ge[5]Ge[5]2C)(H)3	Ge[5](Ge[5]C[5]CC)2(CH3)2	H(CGe[5]HH)	C(Ge[5]Ge[5]2C)(H)3	Ge[5](Ge[5]C[5]CC)2(CH3)2{1|C<3>,1|H<1>}	H(CGe[5]HH)	109.5138	0.571	6	109.5138	0.327	6	109.5138	0.327	6	109.5138	0.327	6	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:1:1:1:	6:4:4:4:	4:	Ge[5]-4:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:	C(Ge[5]C[5x3,6x5,20x6]C[5]C)(H)3	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2	H(CGe[5]HH)	C(Ge[5]C[5x3,6x5,20x6]C[5]C)(H)3	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]Ge[5]CH)(CH3)2{2|C<4>,4|H<1>,5|B<6>}	H(CGe[5]HH)	109.4789	0.043	8	109.4789	0.002	8	109.4789	0.002	8	109.4789	0.002	8	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:3:1:1:	4:4:3:4:	4:	Ge[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C-4:	C(Ge[5]C[5]2N)(CCC)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	H(CGe[5]CH)	C(Ge[5]C[5]2N)(CCC)(H)2	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	H(CGe[5]CH)	108.7310	0.011	2	108.7310	0.000	2	108.7310	0.000	2	108.7310	0.000	2	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:1:1:	3:3:4:4:	4:	Ge[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:Ge[5]-4:C-4:	C-4:	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH)	H(CGe[5]CH)	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	Ge[5](C[5,5a]C[5,5a]C[5a])2(Ge[5]C[5,5a]2C)(CCHH){2|H<1>,2|S<2>,6|C<3>}	H(CGe[5]CH)	108.7383	0.154	3	108.7383	0.024	3	108.7383	0.024	3	108.7383	0.024	3	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:4:1:	3:2:4:4:	4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(Ge[5]C[5,6]O[5]C)(SiC3)2(H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2	H(CGe[5]Si2)	C(Ge[5]C[5,6]O[5]C)(SiC3)2(H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2{1|C<3>,1|H<1>,2|C<4>}	H(CGe[5]Si2)	104.6360	0.076	2	104.6360	0.006	2	104.6360	0.006	2	104.4137	0.842	4	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:4:1:	3:2:4:4:	4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5]-3:P[5]-2:C-4:C-4:	C-4:	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2	H(CGe[5]Si2)	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2{1|C<4>,1|W<6>}	H(CGe[5]Si2)	104.1915	1.524	2	104.1915	2.322	2	104.1915	2.322	2	104.4137	0.842	4	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:4:1:	3:3:4:2:	4:	Ge[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:Se-2:	C-4:	C(Ge[5]N[5]2Se)(CH3)2(H)	Ge[5](N[5]C[5]C)2(CCCH)(SeZn)	H(CGe[5]CC)	C(Ge[5]N[5]2Se)(CH3)2(H)	Ge[5](N[5]C[5]C)2(CCCH)(SeZn){2|C<3>}	H(CGe[5]CC)	106.3370	0.000	1	106.3370	0.000	1	106.3370	0.000	1	106.3370	0.000	1	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:4:1:	3:3:4:4:	4:	Ge[5]-4:Si-4:Si-4:H-1:	C[5]-3:P[5]-3:C-4:C-4:	C-4:	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2	H(CGe[5]Si2)	C(Ge[5]C[5]P[5]C)(SiC3)2(H)	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2{1|C<4>,1|W<6>}	H(CGe[5]Si2)	103.5945	0.457	2	103.5945	0.209	2	103.5945	0.209	2	103.5945	0.209	2	108.5905	4.778	65	108.6972	4.272	74
490	606	951	0:SP3_SP-NON_SP3	C	Ge[5]	H	4:4:4:1:	3:4:4:4:	4:	Ge[5]-4:Si-4:Si-4:H-1:	P[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(Ge[5]P[5,6]C[5]C)(SiC3)2(H)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2	H(CGe[5]Si2)	C(Ge[5]P[5,6]C[5]C)(SiC3)2(H)	Ge[5](P[5,6]C[5,6]P[5,6])(C[5]P[5,6]CH)(CSi2H)2{1|C<4>,1|P<3>,2|C<3>}	H(CGe[5]Si2)	100.5226	1.627	2	100.5226	2.647	2	100.5226	2.647	2	100.5226	2.647	2	108.5905	4.778	65	108.6972	4.272	74
490	610	610	0:SP3_SP3_SP3	C	B	B	4:4:4:1:	4:4:1:1:	4:4:1:1:	B-4:B-4:Si-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	B(CSiBH)(NC3)(H)2	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	B(CSiBH)(NC3)(H)2	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:3:4:1:	4:3:3:2:	3:3:4:	C[6a]-3:C[5]-3:B-4:H-1:	C-4:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(CC[5]BH)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]F)2(CC[5]BH){1|C<3>,2|F<1>}	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[6a]-3:B-4:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]BH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]BH){1|C<3>,2|H<1>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CBHH)	C(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CBHH){1|C<3>,2|H<1>}	116.6595	0.846	2	116.6595	0.716	2	116.6595	0.716	2	116.6595	0.716	2	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[6a]-3:B-4:H-1:H-1:	C-4:N-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BCHN)(H)2	B(CC[6a]HH)(NC3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CBHH)	C(C[6a]C[6a]2)(BCHN)(H)2	B(CC[6a]HH)(NC3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CBHH){1|C<3>,2|H<1>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:B-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH)	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH){1|C<3>,2|H<1>}	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	115.3380	11.927	2	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:B-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH){1|Br<1>,1|C<3>,1|H<1>}	117.7800	0.000	1	117.7800	0.000	1	117.7800	0.000	1	115.3380	11.927	2	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:4:1:	3:3:4:1:	3:3:4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(CBCH)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)2(CBCH){1|C<3>,2|F<1>}	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-4:B-4:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	C[6a](C[6a]C[6a]H)2(CN[5]BH)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	C[6a](C[6a]C[6a]H)2(CN[5]BH){1|C<3>,2|H<1>}	112.1320	1.332	2	112.1320	1.775	2	112.1320	1.775	2	112.1320	1.775	2	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:B-4:H-1:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CBCH){1|Br<1>,1|C<3>,1|H<1>}	112.4760	0.000	1	112.4760	0.000	1	112.4760	0.000	1	112.4760	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-4:C-4:B-4:	C-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	B(CC[6a]N[5]C)(F)3	C[6a](C[6a]C[6a]H)2(CN[5]BC)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	B(CC[6a]N[5]C)(F)3	C[6a](C[6a]C[6a]H)2(CN[5]BC){1|C<3>,2|H<1>}	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	4:3:3:3:	3:3:4:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(CC[6a]2B)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]F)2(CC[6a]2B){1|C<3>,2|F<1>}	112.6550	0.000	1	112.6550	0.000	1	110.7330	21.218	3	110.7330	21.218	3	112.2189	11.757	15	112.2189	11.757	15
490	610	643	0:SP3_SP2_SP3	C	B	C[6a]	4:3:3:3:	3:3:4:1:	3:3:4:	B-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]2B)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]2B){1|C<3>,2|H<1>}	109.7720	6.074	2	109.7720	36.894	2	110.7330	21.218	3	110.7330	21.218	3	112.2189	11.757	15	112.2189	11.757	15
490	610	727	0:SP3_SP2_SP3	C	B	C[5a]	3:3:4:1:	4:4:1:1:	3:2:4:	C[5a]-3:C[6a]-3:B-4:H-1:	C-4:N-4:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH){1|C<3>,1|C<4>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	118.1270	9.700	6	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	116.6600	0.000	1	116.6600	0.000	1	119.0045	3.797	4	118.1270	9.700	6	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.0045	3.797	4	118.1270	9.700	6	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	119.8095	2.015	2	119.8095	4.058	2	119.0045	3.797	4	118.1270	9.700	6	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:3:3:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	118.1270	9.700	6	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:1:1:	3:4:4:4:	3:3:4:	C[6]-3:B-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(BN[6]CC)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C(C[6]C[6]N[6])(BN[6]CC)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	113.3835	0.170	2	113.3835	0.029	2	113.3835	0.029	2	113.3835	0.029	2	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	3:4:4:1:	3:3:3:4:	3:3:4:	C[6]-3:P-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[6]HP)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[6]HP)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP){1|C<3>,1|C<4>,1|H<1>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	116.1513	15.624	11	116.1513	15.624	11
490	610	762	0:SP3_SP2_SP3	C	B	C[6]	4:3:1:1:	3:3:3:4:	4:3:4:	B-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	117.0690	0.891	2	117.0690	0.794	2	117.0690	0.794	2	117.0690	0.794	2	116.1513	15.624	11	116.1513	15.624	11
490	610	790	0:SP3_SP-NON_SP3	C	B	Cl	4:1:1:1:	3:3:3:4:	4:	B-4:Cl-1:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]C[5]2)(Cl)(H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	Cl(CBHH)	C(BC[6a]C[5]2)(Cl)(H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	Cl(CBHH)	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1
490	610	818	0:SP3_SP2_SP3	C	B	C[5]	3:3:4:1:	4:3:3:2:	4:4:4:	C[6a]-3:C[5]-3:B-4:H-1:	C-4:C[6a]-3:C[6a]-3:C-2:	P[5]-4:P[5]-4:C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	C[5](P[5]C[6a]2C[5])2(CC[6a]BH){1|B<4>,1|H<1>,8|C<3>}	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	116.1180	58.279	3	116.1180	58.279	3
490	610	818	0:SP3_SP2_SP3	C	B	C[5]	3:4:1:1:	3:3:3:4:	3:2:4:	C[5]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[5]-3:O[5]-2:C-4:	C(C[5]C[5]O[5])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	114.1180	0.000	1	114.1180	0.000	1	114.1180	0.000	1	114.1180	0.000	1	116.1180	58.279	3	116.1180	58.279	3
490	610	818	0:SP3_SP2_SP3	C	B	C[5]	3:4:1:1:	4:1:1:1:	3:3:4:	C[5]-3:B-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(BH3)(H)2	B(CC[5]HH)(H)3	C[5](N[5]C[6a]C[5])2(CBHH)	C(C[5]N[5]2)(BH3)(H)2	B(CC[5]HH)(H)3	C[5](N[5]C[6a]C[5])2(CBHH){4|C<3>,4|H<1>}	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	116.1180	58.279	3	116.1180	58.279	3
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:1:1:1:	2:4:1:1:	4:	B-4:F-1:F-1:F-1:	O-2:C-4:F-1:F-1:	C-4:	C(BFFO)(F)3	B(ON[6])(CF3)(F)2	F(CBFF)	C(BFFO)(F)3	B(ON[6])(CF3)(F)2	F(CBFF)	113.3957	0.893	3	113.3957	0.797	3	113.3957	0.797	3	113.3957	0.797	3	113.6093	1.683	41	113.6093	1.683	41
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:1:1:1:	4:4:4:2:	4:	B-4:F-1:F-1:F-1:	C-4:C-4:C-4:N-2:	C-4:	C(BCCN)(F)3	B(CF3)3(NC)	F(CBFF)	C(BCCN)(F)3	B(CF3)3(NC)	F(CBFF)	113.4941	0.892	8	113.4941	0.796	8	113.4941	0.796	8	113.4941	0.796	8	113.6093	1.683	41	113.6093	1.683	41
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:1:1:1:	4:4:4:4:	4:	B-4:F-1:F-1:F-1:	C-4:C-4:C-4:C-4:	C-4:	C(BC3)(F)3	B(CF3)4	F(CBFF)	C(BC3)(F)3	B(CF3)4	F(CBFF)	114.0179	1.033	24	114.0179	1.068	24	114.0179	1.068	24	114.0179	1.068	24	113.6093	1.683	41	113.6093	1.683	41
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:4:1:1:	2:4:1:1:	4:	B-4:C-4:F-1:F-1:	O-2:C-4:F-1:F-1:	C-4:	C(BFFO)(CCFF)(F)2	B(ON[6])(CCFF)(F)2	F(CBCF)	C(BFFO)(CCFF)(F)2	B(ON[6])(CCFF)(F)2	F(CBCF)	109.8415	1.084	2	109.8415	1.175	2	109.8415	1.175	2	109.8415	1.175	2	113.6093	1.683	41	113.6093	1.683	41
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:F-1:F-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(BN[6]HH)(CF3)(F)2	B(N[6]C[6]2)(CCFF)(H)2	F(CBCF)	C(BN[6]HH)(CF3)(F)2	B(N[6]C[6]2)(CCFF)(H)2	F(CBCF)	112.9510	0.102	2	112.9510	0.010	2	112.9510	0.010	2	112.9510	0.010	2	113.6093	1.683	41	113.6093	1.683	41
490	610	830	0:SP3_SP-NON_SP3	C	B	F	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:F-1:F-1:	P-4:C-4:H-1:H-1:	C-4:	C(BHHP)(CF3)(F)2	B(PC[6a]3)(CCFF)(H)2	F(CBCF)	C(BHHP)(CF3)(F)2	B(PC[6a]3)(CCFF)(H)2	F(CBCF)	113.9145	0.839	2	113.9145	0.704	2	113.9145	0.704	2	113.9145	0.704	2	113.6093	1.683	41	113.6093	1.683	41
490	610	854	0:SP3_SP3_SP3	C	B	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:B-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(BF3)(H)2	B(CN[6]HH)(F)3	N[6](C[6]C[6]HH)2(CBHH)(H)	C(N[6]C[6]2H)(BF3)(H)2	B(CN[6]HH)(F)3	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1
490	610	880	0:SP3_SP3_SP3	C	B	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	B-4:B-4:Si-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	Si(CBBH)(CH3)3	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	Si(CBBH)(CH3)3	108.2425	2.411	2	108.2425	5.811	2	108.2425	5.811	2	108.2425	5.811	2	108.2425	5.811	2	108.2425	5.811	2
490	610	892	0:SP3_SP3_SP3	C	B	N	4:4:1:1:	3:3:4:4:	4:4:4:1:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:C-4:H-1:	C(BC[6a]2C)(NCCH)(H)2	B(C[6a]C[6a]2)2(CHHN)2	N(CBHH)(CH3)2(H)	C(BC[6a]2C)(NCCH)(H)2	B(C[6a]C[6a]2)2(CHHN)2	N(CBHH)(CH3)2(H)	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1
490	610	909	0:SP3_SP3_SP3	C	B	S	4:2:1:1:	3:3:4:4:	4:4:	B-4:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6]-4:C-4:	C(BC[6a]2C)(SC[6])(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	S(C[6]C[6]2Ru)(CBHH)	C(BC[6a]2C)(SC[6])(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	S(C[6]C[6]2Ru)(CBHH)	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	113.2452	3.211	8	113.2452	3.211	8
490	610	909	0:SP3_SP3_SP3	C	B	S	4:2:1:1:	3:4:4:4:	4:4:	B-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	S(CBHH)(CC3)	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	S(CBHH)(CC3)	113.2940	0.868	4	113.2940	0.754	4	113.7917	0.959	7	113.7917	0.959	7	113.2452	3.211	8	113.2452	3.211	8
490	610	909	0:SP3_SP3_SP3	C	B	S	4:2:1:1:	3:4:4:4:	4:4:	B-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	S(CBHH)(CH3)	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	S(CBHH)(CH3)	114.4553	0.769	3	114.4553	0.592	3	113.7917	0.959	7	113.7917	0.959	7	113.2452	3.211	8	113.2452	3.211	8
490	610	930	0:SP3_SP2_SP3	C	B	C	3:4:1:1:	4:4:1:1:	3:4:1:	C-3:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(BHHN)(H)2	B(CCHH)(NC3)(H)2	C(C[6a]C[6a]2)(CBHH)(O)	C(CC[6a]O)(BHHN)(H)2	B(CCHH)(NC3)(H)2	C(C[6a]C[6a]2)(CBHH)(O)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	3:4:3:1:	4:4:1:1:	3:4:1:	C[6a]-3:B-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]BH)(O)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]BH)(O)	102.4130	0.000	1	102.4130	0.000	1	102.4130	0.000	1	102.4130	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	3:4:3:1:	4:4:1:1:	4:2:1:	C[6a]-3:B-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	C(CC[6a]BH)(OC[6a])(O)	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	C(CC[6a]BH)(OC[6a])(O)	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:3:4:	3:4:3:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C(BC[6a]3)(CC[6a]N)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(C[6a]C[6a]2)(CBHH)(NCH)	C(BC[6a]3)(CC[6a]N)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(C[6a]C[6a]2)(CBHH)(NCH)	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	118.0980	7.738	2	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:3:4:	3:4:3:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	N-3:C-4:C-3:	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(NC[6a]Al)(CBHH)(CCH)	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(NC[6a]Al)(CBHH)(CCH)	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	118.0980	7.738	2	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:3:4:	4:3:1:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(BC[6a]3)(CCH)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CCH)(H)	C(BC[6a]3)(CCH)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CCH)(H)	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:3:4:	4:4:3:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-3:	C(BC[6a]3)(CCC)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CH3)(CCC)	C(BC[6a]3)(CCC)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CH3)(CCC)	117.1815	0.073	2	117.1815	0.005	2	117.1815	0.005	2	118.6667	6.620	3	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:3:4:	4:4:3:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-4:N-3:	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CC3)(NCH)	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	C(CBHH)(CC3)(NCH)	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	118.6667	6.620	3	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:4:2:	4:3:1:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:	C(BC[6a]2O)(CCH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CBHH)(CCC)(H)	C(BC[6a]2O)(CCH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CBHH)(CCC)(H)	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:3:4:4:	4:3:1:	B-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:C-3:H-1:	C(BN[5]2C)(CCH)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	C(CBHH)(CHH)(H)	C(BN[5]2C)(CCH)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	C(CBHH)(CHH)(H)	117.8603	1.346	3	117.8603	1.812	3	117.8603	1.812	3	117.8603	1.812	3	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:4:1:1:	3:4:1:	B-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(BC[5]HH)(CC[6a]O)(H)2	B(C[5]N[5]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CBHH)(O)	C(BC[5]HH)(CC[6a]O)(H)2	B(C[5]N[5]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CBHH)(O)	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:1:1:	3:4:4:4:	4:3:1:	B-4:C-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:C-3:H-1:	C(BN[5]CC)(CCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	C(CBHH)(CHH)(H)	C(BN[5]CC)(CCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	C(CBHH)(CHH)(H)	114.1748	2.931	5	114.1748	8.592	5	114.1748	8.592	5	114.1748	8.592	5	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:3:1:	4:4:1:1:	3:4:4:	B-4:C-3:C-3:H-1:	P-4:C-4:H-1:H-1:	N-3:C-4:C-4:	C(BHHP)(CCN)2(H)	B(PC[6a]2Mg)(CCCH)(H)2	C(NC[6a]Mg)(CBCH)(CH3)	C(BHHP)(CCN)2(H)	B(PC[6a]2Mg)(CCCH)(H)2	C(NC[6a]Mg)(CBCH)(CH3)	111.3325	1.117	2	111.3325	1.247	2	111.3325	1.247	2	111.3325	1.247	2	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:4:1:	3:3:3:4:	3:4:3:	B-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C(BC[6a]3)(CC[6a]N)(CH3)(H)	B(C[6a]C[6a]2)3(CCCH)	C(C[6a]C[6a]2)(CBCH)(NCH)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	B(C[6a]C[6a]2)3(CCCH)	C(C[6a]C[6a]2)(CBCH)(NCH)	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:3:4:1:	3:3:4:1:	3:4:1:	B-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	N[6]-3:C-4:H-1:	C(BC[6a]2H)(CN[6]H)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(H)	C(N[6]C[6]2)(CBCH)(H)	C(BC[6a]2H)(CN[6]H)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(H)	C(N[6]C[6]2)(CBCH)(H)	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:3:4:4:	4:3:1:	B-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:N-3:H-1:	C(BC[6a]2C)(CH3)(CHN)(H)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C(CBCH)(NCC)(H)	C(BC[6a]2C)(CH3)(CHN)(H)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	C(CBCH)(NCC)(H)	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:4:1:1:	2:4:1:	C-4:B-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	O-2:C-4:O-1:	C(CC[6a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(OC[6])(CBCH)(O)	C(CC[6a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(OC[6])(CBCH)(O)	111.4200	3.633	2	111.4200	13.200	2	111.4200	13.200	2	111.4200	13.200	2	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:4:1:1:	4:2:1:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:Cl-1:H-1:	C-4:O-2:O-1:	C(BC[5]ClH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(Cl)(H)	C(CBCH)(OC)(O)	C(BC[5]ClH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(Cl)(H)	C(CBCH)(OC)(O)	106.6755	0.011	2	106.6755	0.000	2	106.6755	0.000	2	107.2718	0.844	6	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:4:1:1:	4:2:1:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:F-1:F-1:	C-4:O-2:O-1:	C(BC[5]FF)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(F)2	C(CBCH)(OC)(O)	C(BC[5]FF)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(F)2	C(CBCH)(OC)(O)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.2718	0.844	6	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:4:1:1:	4:2:1:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:	C(BC[5]HH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(CBCH)(OC)(O)	C(BC[5]HH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(CBCH)(OC)(O)	107.9885	1.559	2	107.9885	2.431	2	107.9885	2.431	2	107.2718	0.844	6	111.9992	23.510	32	111.9992	23.510	32
490	610	930	0:SP3_SP2_SP3	C	B	C	4:4:3:1:	3:4:1:1:	4:2:1:	C-4:B-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:	C(CC[5a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(CBCH)(OC)(O)	C(CC[5a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	C(CBCH)(OC)(O)	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.2718	0.844	6	111.9992	23.510	32	111.9992	23.510	32
490	610	945	0:SP3_SP3_SP3	C	B	P	4:3:1:1:	3:3:4:4:	3:3:4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]2C)(PC[6a]2)(H)2	B(C[6a]C[6a]2)2(CHHP)2	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]2C)(PC[6a]2)(H)2	B(C[6a]C[6a]2)2(CHHP)2	P(C[6a]C[6a]2)2(CBHH)	118.2867	1.915	4	118.2867	3.667	4	118.2867	3.667	4	118.2867	3.667	4	120.0814	16.481	25	120.0814	16.481	25
490	610	945	0:SP3_SP3_SP3	C	B	P	4:3:1:1:	3:3:4:4:	4:4:4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(BC[6a]2C)(PCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	P(CBHH)(CC3)2	C(BC[6a]2C)(PCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	P(CBHH)(CC3)2	127.9520	1.163	4	127.9520	1.353	4	127.9520	1.353	4	127.9520	1.353	4	120.0814	16.481	25	120.0814	16.481	25
490	610	945	0:SP3_SP3_SP3	C	B	P	4:3:1:1:	3:4:4:4:	3:3:4:	B-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]CC)(PC[6a]2)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]CC)(PC[6a]2)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(C[6a]C[6a]2)2(CBHH)	119.0172	1.650	9	119.0172	2.721	9	119.0172	2.721	9	119.0172	2.721	9	120.0814	16.481	25	120.0814	16.481	25
490	610	945	0:SP3_SP3_SP3	C	B	P	4:3:1:1:	3:4:4:4:	4:4:4:	B-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:	C(BC[6a]CC)(PCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(CBHH)(CCCH)2	C(BC[6a]CC)(PCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(CBHH)(CCCH)2	119.1809	1.370	7	119.1809	1.876	7	119.1809	1.876	7	119.1809	1.876	7	120.0814	16.481	25	120.0814	16.481	25
490	610	945	0:SP3_SP3_SP3	C	B	P	4:4:4:3:	4:1:1:1:	4:4:4:	B-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(BH3)(CH3)2(PCC)	B(CCCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	C(BH3)(CH3)2(PCC)	B(CCCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	120.0814	16.481	25	120.0814	16.481	25
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:3:4:1:	4:3:3:2:	4:	C[6a]-3:C[5]-3:B-4:H-1:	C-4:C[6a]-3:C[6a]-3:C-2:	C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	H(CC[6a]C[5]B)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	B(CC[6a]C[5]H)(C[6a]C[6a]2)2(CN)	H(CC[6a]C[5]B)	103.5750	0.000	1	103.5750	0.000	1	103.5750	0.000	1	103.5750	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:B-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	H(CC[5a]C[6a]B)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	B(CC[5a]C[6a]H)(NC3)(H)2	H(CC[5a]C[6a]B)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:3:3:4:	4:	C[5]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	108.7255	0.045	2	108.7255	0.002	2	108.7255	0.002	2	107.9029	0.572	17	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	H(CC[6]BH)	107.7613	0.920	9	107.7613	0.846	9	107.7613	0.846	9	107.9029	0.572	17	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:3:3:4:	4:	C[6]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	H(CC[6]BH)	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	H(CC[6]BH)	107.3390	0.010	2	107.3390	0.000	2	107.3390	0.000	2	107.9029	0.572	17	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6a]HH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6a]HH)	H(CC[6a]BH)	108.0920	0.155	4	108.0920	0.024	4	108.0920	0.024	4	107.9029	0.572	17	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:B-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(BN[6]CC)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	H(CC[6]BH)	C(C[6]C[6]N[6])(BN[6]CC)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	H(CC[6]BH)	108.8852	0.067	4	108.8852	0.004	4	108.8852	0.004	4	108.9178	0.033	10	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	3:4:4:4:	4:	S-3:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(SC[3x6]Ni)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(SC[3x6]Ni)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.9395	0.235	6	108.9395	0.055	6	108.9395	0.055	6	108.9178	0.033	10	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:B-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(BH3)(H)2	B(CC[5]HH)(H)3	H(CC[5]BH)	C(C[5]N[5]2)(BH3)(H)2	B(CC[5]HH)(H)3	H(CC[5]BH)	109.7230	0.021	2	109.7230	0.000	2	109.7230	0.000	2	109.0037	0.311	6	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:B-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[5]C[5]N[5])(BF3)(H)2	B(CN[5]HH)(F)3	H(CN[5]BH)	C(N[5]C[5]N[5])(BF3)(H)2	B(CN[5]HH)(F)3	H(CN[5]BH)	108.6440	0.025	4	108.6440	0.001	4	108.6440	0.001	4	109.0037	0.311	6	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	4:4:1:1:	4:	C-3:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]O)(BHHN)(H)2	B(CCHH)(NC3)(H)2	H(CBCH)	C(CC[6a]O)(BHHN)(H)2	B(CCHH)(NC3)(H)2	H(CBCH)	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:B-4:H-1:H-1:	C-4:N-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(BCHN)(H)2	B(CC[6a]HH)(NC3)(CN)(H)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BCHN)(H)2	B(CC[6a]HH)(NC3)(CN)(H)	H(CC[6a]BH)	109.2145	0.062	2	109.2145	0.004	2	109.2145	0.004	2	109.2145	0.004	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:B-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	H(CC[6a]BC)	C(C[6a]C[6a]2)(BHHP)(COO)(H)	B(CC[6a]CH)(PCCH)(H)2	H(CC[6a]BC)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.8190	0.025	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:B-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	H(CC[6a]BC)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	H(CC[6a]BC)	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.8190	0.025	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:4:1:	3:3:3:4:	4:	C[6]-3:P-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[6]HP)	H(CC[6]BP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[6]HP)	H(CC[6]BP)	104.0880	0.000	1	104.0880	0.000	1	104.0880	0.000	1	104.0880	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]BC)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]BC)	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:4:1:	3:3:4:2:	4:	B[5]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	H(CB[5]BC)	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	H(CB[5]BC)	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N[5]-4:B-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	H(CC[6a]N[5]B)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	H(CC[6a]N[5]B)	107.9800	0.212	2	107.9800	0.045	2	107.9800	0.045	2	107.9800	0.045	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:B-4:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	H(CC[6a]BC)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	B(N[5]C[5]2C)(CC[6a]CH)(H)2	H(CC[6a]BC)	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:Cl-1:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]C[5]2)(Cl)(H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	H(CClBH)	C(BC[6a]C[5]2)(Cl)(H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	H(CClBH)	109.5500	0.018	2	109.5500	0.000	2	109.5500	0.000	2	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2C[5])(H)3	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	H(CBHH)	C(BC[6a]2C[5])(H)3	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	H(CBHH)	109.4760	0.032	3	109.4760	0.001	3	109.4760	0.001	3	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C-4:	C(BC[6a]C[5]N[6])(H)3	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	H(CBHH)	C(BC[6a]C[5]N[6])(H)3	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	H(CBHH)	109.4730	0.020	2	109.4730	0.000	2	109.4730	0.000	2	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(CH3)	H(CBHH)	C(BC[6a]3)(H)3	B(C[6a]C[6a]2)3(CH3)	H(CBHH)	109.7272	1.230	63	109.7272	1.513	63	109.7272	1.513	63	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-3:C-4:	C-4:	C(BC[6a]N[6]C)(H)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	H(CBHH)	C(BC[6a]N[6]C)(H)3	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	H(CBHH)	109.4910	0.017	3	109.4910	0.000	3	109.4910	0.000	3	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(BN[5]3)(H)3	B(N[5]C[5]2)3(CH3)	H(CBHH)	C(BN[5]3)(H)3	B(N[5]C[5]2)3(CH3)	H(CBHH)	109.4093	0.045	3	109.4093	0.002	3	109.4513	0.086	35	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(BN[5]3)(H)3	B(N[5]C[5]N[5])3(CH3)	H(CBHH)	C(BN[5]3)(H)3	B(N[5]C[5]N[5])3(CH3)	H(CBHH)	109.4552	0.306	32	109.4552	0.094	32	109.4513	0.086	35	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:3:4:	4:	B-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:	C(BN[5a]3)(H)3	B(N[5a]C[5a]N[5a])3(CH3)	H(CBHH)	C(BN[5a]3)(H)3	B(N[5a]C[5a]N[5a])3(CH3)	H(CBHH)	109.8299	0.655	8	109.8299	0.429	8	109.8299	0.429	8	109.6310	0.886	116	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:1:	4:	B-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:	C(BN[5a]2H)(H)3	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	H(CBHH)	C(BN[5a]2H)(H)3	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	H(CBHH)	109.4493	0.020	3	109.4493	0.000	3	109.4493	0.000	3	109.4493	0.000	3	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:2:	4:	B-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:H-2:	C-4:	C(BN[5a]2H)(H)3	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	H(CBHH)	C(BN[5a]2H)(H)3	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	H(CBHH)	109.4704	0.026	7	109.4704	0.001	7	109.4704	0.001	7	109.4704	0.001	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:3:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(BC[6a]2C)(H)3	B(C[6a]C[6a]2)2(CH3)(CCH)	H(CBHH)	C(BC[6a]2C)(H)3	B(C[6a]C[6a]2)2(CH3)(CCH)	H(CBHH)	109.4947	0.024	3	109.4947	0.001	3	109.4947	0.001	3	109.4947	0.001	3	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:4:	4:	B-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:	C(BC[6]2C)(H)3	B(C[6]C[6]N[6])2(CH3)2	H(CBHH)	C(BC[6]2C)(H)3	B(C[6]C[6]N[6])2(CH3)2	H(CBHH)	109.4809	0.038	23	109.4809	0.001	23	109.4809	0.001	23	109.7412	1.082	96	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:4:	4:	B-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C-4:	C(BC[6]N[6]C)(H)3	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	H(CBHH)	C(BC[6]N[6]C)(H)3	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	H(CBHH)	111.6218	2.218	12	111.6218	4.920	12	111.6218	4.920	12	109.7412	1.082	96	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:4:	4:	B-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(H)3	B(C[6a]C[6a]2)2(CCHH)(CH3)	H(CBHH)	C(BC[6a]2C)(H)3	B(C[6a]C[6a]2)2(CCHH)(CH3)	H(CBHH)	109.4680	0.050	8	109.4680	0.002	8	109.4680	0.002	8	109.7412	1.082	96	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:3:4:4:	4:	B-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(BN[5]2C)(H)3	B(N[5]C[5]2)2(CH3)2	H(CBHH)	C(BN[5]2C)(H)3	B(N[5]C[5]2)2(CH3)2	H(CBHH)	109.4697	0.047	53	109.4697	0.002	53	109.4697	0.002	53	109.7412	1.082	96	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	3:4:2:2:	4:	B-4:H-1:H-1:H-1:	C[5]-3:C-4:C-2:C-2:	C-4:	C(BC[5]CC)(H)3	B(C[5]N[5]2)(CH3)(CN)2	H(CBHH)	C(BC[5]CC)(H)3	B(C[5]N[5]2)(CH3)(CN)2	H(CBHH)	109.4656	0.045	7	109.4656	0.002	7	109.4656	0.002	7	109.4656	0.002	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:3:4:1:	4:	B-4:H-1:H-1:H-1:	C[5]-4:N[6]-3:C-4:F-1:	C-4:	C(BC[5]N[6]F)(H)3	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	H(CBHH)	C(BC[5]N[6]F)(H)3	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	H(CBHH)	109.4510	0.028	3	109.4510	0.001	3	109.4510	0.001	3	109.4510	0.001	3	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(BHHN)(H)3	B(CH3)(NH3)(H)2	H(CBHH)	C(BHHN)(H)3	B(CH3)(NH3)(H)2	H(CBHH)	109.4630	0.024	3	109.4630	0.001	3	109.4630	0.001	3	110.8115	3.973	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(BHHN)(H)3	B(NCCH)(CH3)(H)2	H(CBHH)	C(BHHN)(H)3	B(NCCH)(CH3)(H)2	H(CBHH)	109.4730	0.049	2	109.4730	0.002	2	111.6206	4.770	5	110.8115	3.973	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:4:1:1:	4:	B-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(BHHN)(H)3	B(NCHH)(CH3)(H)2	H(CBHH)	C(BHHN)(H)3	B(NCHH)(CH3)(H)2	H(CBHH)	113.0523	1.361	3	113.0523	1.853	3	111.6206	4.770	5	110.8115	3.973	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:4:4:4:	4:	B-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(BC[5]2C)(H)3	B(C[5]C[5]2Fe)2(CH3)2	H(CBHH)	C(BC[5]2C)(H)3	B(C[5]C[5]2Fe)2(CH3)2	H(CBHH)	109.4745	0.046	13	109.4745	0.002	13	109.4745	0.002	13	109.4750	0.002	16	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:1:1:1:	4:4:4:4:	4:	B-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(BC[6]2C)(H)3	B(C[6]C[6]2H)2(CCHH)(CH3)	H(CBHH)	C(BC[6]2C)(H)3	B(C[6]C[6]2H)2(CCHH)(CH3)	H(CBHH)	109.4773	0.015	3	109.4773	0.000	3	109.4773	0.000	3	109.4750	0.002	16	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:2:1:1:	3:3:3:4:	4:	B-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(OZr)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	H(CBHO)	C(BC[6a]2N[6])(OZr)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	H(CBHO)	107.6255	0.047	2	107.6255	0.002	2	107.6255	0.002	2	107.6255	0.002	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:2:1:1:	3:3:4:4:	4:	B-4:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(SC[6])(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	H(CBHS)	C(BC[6a]2C)(SC[6])(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	H(CBHS)	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:2:1:1:	3:4:4:4:	4:	B-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.7858	0.223	14	108.7858	0.050	14	108.7858	0.050	14	108.7858	0.050	14	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:2:1:1:	4:1:1:1:	4:	B-4:C-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(BF3)(CN)(H)2	B(CCHH)(F)3	H(CBCH)	C(BF3)(CN)(H)2	B(CCHH)(F)3	H(CBCH)	108.6850	0.021	2	108.6850	0.000	2	108.6850	0.000	2	108.6850	0.000	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CCC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CCC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.0152	0.041	4	108.0152	0.002	4	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CCH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CCH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	109.1330	0.013	2	109.1330	0.000	2	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CCN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	107.4635	1.169	4	107.4635	1.367	4	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CC[6a]N)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CC[6a]N)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.2135	0.026	2	108.2135	0.001	2	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CTiC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CTiC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	110.9090	3.381	2	110.9090	11.434	2	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CZrC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CZrC)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	109.0113	2.560	4	109.0113	6.552	4	108.5817	3.172	18	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:3:4:	4:	B-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	H(CC[6]BH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	H(CC[6]BH)	108.0295	0.159	4	108.0295	0.025	4	108.0295	0.025	4	108.4813	2.619	22	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:2:	4:	B-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CCH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	C(BC[6a]2O)(CCH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	109.2805	0.021	2	109.2805	0.000	2	109.2805	0.000	2	109.2805	0.000	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:3:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(BC[6a]2C)(SC[6a]Rh)(H)2	B(C[6a]C[6a]2)2(CHHS)(CRhC)	H(CBHS)	C(BC[6a]2C)(SC[6a]Rh)(H)2	B(C[6a]C[6a]2)2(CHHS)(CRhC)	H(CBHS)	109.0703	0.608	4	109.0703	0.370	4	109.0703	0.370	4	109.0703	0.370	4	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(BN[5]2C)(CCH)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBCH)	C(BN[5]2C)(CCH)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBCH)	107.8450	0.291	6	107.8450	0.085	6	107.8450	0.085	6	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(NCC)(H)2	B(C[6a]C[6a]2)2(CHHN)2	H(CBHN)	C(BC[6a]2C)(NCC)(H)2	B(C[6a]C[6a]2)2(CHHN)2	H(CBHN)	108.2465	0.035	2	108.2465	0.001	2	108.2465	0.001	2	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(PCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(BC[6a]2C)(PCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	105.2827	0.320	6	105.2827	0.103	6	106.6868	1.720	14	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(PC[6a]2)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(BC[6a]2C)(PC[6a]2)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	107.7399	0.405	8	107.7399	0.164	8	106.6868	1.720	14	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(SC[6a]Cu)(H)2	B(C[6a]C[6a]2)2(CHHS)2	H(CBHS)	C(BC[6a]2C)(SC[6a]Cu)(H)2	B(C[6a]C[6a]2)2(CHHS)2	H(CBHS)	109.4873	0.045	3	109.4873	0.002	3	108.8409	0.202	11	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:3:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(SNiC)(H)2	B(C[6a]C[6a]2)2(CHHS)2	H(CBHS)	C(BC[6a]2C)(SNiC)(H)2	B(C[6a]C[6a]2)2(CHHS)2	H(CBHS)	108.5985	0.204	8	108.5985	0.042	8	108.8409	0.202	11	107.7099	1.694	33	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:1:1:	4:	B-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(BC[5]HH)(CC[6a]O)(H)2	B(C[5]N[5]2)(CCHH)(H)2	H(CBCH)	C(BC[5]HH)(CC[6a]O)(H)2	B(C[5]N[5]2)(CCHH)(H)2	H(CBCH)	108.7535	0.153	2	108.7535	0.024	2	108.7535	0.024	2	108.7535	0.024	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:3:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(BC[6a]CC)(SFeC)(H)2	B(C[6a]C[6a]2)(CHHS)2(CHS)	H(CBHS)	C(BC[6a]CC)(SFeC)(H)2	B(C[6a]C[6a]2)(CHHS)2(CHS)	H(CBHS)	108.2820	0.028	4	108.2820	0.001	4	108.2820	0.001	4	108.2820	0.001	4	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:C-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(BN[5]CC)(CCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	C(BN[5]CC)(CCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	108.7446	0.656	9	108.7446	0.430	9	108.7446	0.430	9	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	107.5649	0.286	13	107.5649	0.082	13	107.5545	0.117	29	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:P-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PC[6a]2)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PC[6a]2)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	107.5461	0.392	16	107.5461	0.154	16	107.5545	0.117	29	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SC[6a]Cu)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SC[6a]Cu)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.7883	0.260	6	108.7883	0.067	6	108.7748	0.106	145	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SCoC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SCoC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.7578	0.330	75	108.7578	0.109	75	108.7748	0.106	145	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SFeC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SFeC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.7620	0.291	42	108.7620	0.085	42	108.7748	0.106	145	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SMnC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SMnC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	108.5858	0.243	12	108.5858	0.059	12	108.7748	0.106	145	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:1:1:	3:4:4:4:	4:	B-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(SNiC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	C(BC[6a]CC)(SNiC)(H)2	B(C[6a]C[6a]2)(CHHS)3	H(CBHS)	109.1742	0.285	10	109.1742	0.081	10	108.7748	0.106	145	108.5799	0.320	183	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:3:1:	4:4:1:1:	4:	B-4:C-3:C-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BHHP)(CCN)2(H)	B(PC[6a]2Mg)(CCCH)(H)2	H(CBCC)	C(BHHP)(CCN)2(H)	B(PC[6a]2Mg)(CCCH)(H)2	H(CBCC)	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:4:1:	3:3:3:4:	4:	B-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CC[6a]N)(CH3)(H)	B(C[6a]C[6a]2)3(CCCH)	H(CBCC)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	B(C[6a]C[6a]2)3(CCCH)	H(CBCC)	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:3:4:1:	3:3:4:1:	4:	B-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]2H)(CN[6]H)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(H)	H(CBCC)	C(BC[6a]2H)(CN[6]H)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(H)	H(CBCC)	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:2:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C-4:	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(OC[6])(CCHH)	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(OC[6])(CCHH)	H(CBCH)	108.7240	0.017	2	108.7240	0.000	2	108.7537	0.363	15	108.7537	0.363	15	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:2:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C-4:	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(OS[5])(CCHH)	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(OS[5])(CCHH)	H(CBCH)	109.1945	0.642	4	109.1945	0.412	4	108.7537	0.363	15	108.7537	0.363	15	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:2:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C-4:	C(BC[6a]2O)(CP[5]HH)(H)2	B(C[6a]C[6a]2)2(OC[5])(CCHH)	H(CBCH)	C(BC[6a]2O)(CP[5]HH)(H)2	B(C[6a]C[6a]2)2(OC[5])(CCHH)	H(CBCH)	108.5643	0.586	9	108.5643	0.343	9	108.7537	0.363	15	108.7537	0.363	15	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CB[5]HH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CB[5]HH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.4230	0.033	2	108.4230	0.001	2	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CC3)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CC3)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.9250	0.000	2	108.9250	0.000	2	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CCHN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CCHN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	107.9433	2.769	4	107.9433	7.668	4	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CCHP)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CCHP)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	106.9885	0.023	2	106.9885	0.001	2	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CH3)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CH3)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.3850	0.018	4	108.3850	0.000	4	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CHHN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CHHN)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.8418	0.212	4	108.8418	0.045	4	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CHHP)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CHHP)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.3820	0.828	4	108.3820	0.685	4	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(CSiHH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	C(BC[6a]3)(CSiHH)(H)2	B(C[6a]C[6a]2)3(CCHH)	H(CBCH)	108.1905	0.077	2	108.1905	0.006	2	108.3026	1.357	24	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(CCHP)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	C(BC[6a]2N[6])(CCHP)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	108.6455	0.046	2	108.6455	0.002	2	108.7264	0.067	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(CC[5]HH)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	C(BC[6a]2N[6])(CC[5]HH)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	108.4920	0.040	2	108.4920	0.002	2	108.7264	0.067	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(CC[6]HH)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	C(BC[6a]2N[6])(CC[6]HH)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	109.1300	0.017	2	109.1300	0.000	2	108.7264	0.067	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C-4:	C(BC[6a]2N[6])(CHHP)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	C(BC[6a]2N[6])(CHHP)(H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	H(CBCH)	108.6380	0.035	2	108.6380	0.001	2	108.7264	0.067	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]2N[5])(CCHH)(H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	H(CBCH)	C(BC[6a]2N[5])(CCHH)(H)2	B(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CCHH)	H(CBCH)	107.5645	0.049	2	107.5645	0.002	2	107.5645	0.002	2	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(BN[5]3)(CCHH)(H)2	B(N[5]C[5]N[5])3(CCHH)	H(CBCH)	C(BN[5]3)(CCHH)(H)2	B(N[5]C[5]N[5])3(CCHH)	H(CBCH)	107.4532	0.075	4	107.4532	0.006	4	107.4532	0.006	4	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]3)(PCCH)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	C(BC[6a]3)(PCCH)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	106.8035	0.032	2	106.8035	0.001	2	106.8035	0.001	2	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	B-4:P-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	H(CBHP)	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	H(CBHP)	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	C[3]-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[3]HH)	H(CC[3]BH)	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[3]HH)	H(CC[3]BH)	108.9000	0.045	2	108.9000	0.002	2	108.9000	0.002	2	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	107.7810	0.049	4	107.7810	0.002	4	108.0438	1.144	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[5]HH)	H(CC[5]BH)	108.3065	1.576	4	108.3065	2.484	4	108.0438	1.144	8	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	C[6]-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	H(CC[6]BH)	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CC[6]HH)	H(CC[6]BH)	109.9485	1.665	2	109.9485	2.773	2	109.9485	2.773	2	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2C)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	C(PC[6a]2C)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	106.3340	0.038	2	106.3340	0.001	2	105.4545	1.032	4	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:3:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]2Zr)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	C(PC[6a]2Zr)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	H(CBHP)	104.5750	0.018	2	104.5750	0.000	2	105.4545	1.032	4	108.0440	1.651	57	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CBCH)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CBCH)	108.7375	0.021	2	108.7375	0.000	2	108.7375	0.000	2	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]2H)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	C(BC[6a]2H)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	107.7910	0.041	2	107.7910	0.002	2	109.0524	0.796	10	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]2H)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	C(BC[6a]2H)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	109.0095	0.012	2	109.0095	0.000	2	109.0524	0.796	10	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]2H)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	C(BC[6a]2H)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	109.4872	0.754	6	109.4872	0.568	6	109.0524	0.796	10	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:I-1:	C-4:	C(BC[6a]2I)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(I)	H(CBCH)	C(BC[6a]2I)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(I)	H(CBCH)	108.7625	0.012	2	108.7625	0.000	2	108.7625	0.000	2	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(BC[6a]N[6]H)(CCHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	H(CBCH)	C(BC[6a]N[6]H)(CCHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	H(CBCH)	109.2970	0.065	2	109.2970	0.004	2	109.2970	0.004	2	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:1:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	B(C[6a]C[6a]2)2(CCHH)(H)	H(CBCH)	108.9580	0.031	2	108.9580	0.001	2	108.9580	0.001	2	109.0019	0.449	18	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CC)	H(CBCH)	C(BC[6a]2C)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CC)	H(CBCH)	108.2005	0.045	2	108.2005	0.002	2	108.8850	0.373	16	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CC[5]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	C(BC[6a]2C)(CC[5]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	108.4837	0.200	6	108.4837	0.040	6	108.8850	0.373	16	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	109.3860	0.243	4	109.3860	0.059	4	108.8850	0.373	16	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CO)	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CO)	H(CBCH)	109.9435	0.026	2	109.9435	0.001	2	108.8850	0.373	16	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CHHS)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	C(BC[6a]2C)(CHHS)(H)2	B(C[6a]C[6a]2)2(CCHH)(CN)	H(CBCH)	108.7130	0.027	2	108.7130	0.001	2	108.8850	0.373	16	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:	C(BC[6a]2N)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(NC)	H(CBCH)	C(BC[6a]2N)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(NC)	H(CBCH)	108.0620	0.010	2	108.0620	0.000	2	108.0620	0.000	2	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OH)	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OH)	H(CBCH)	108.3120	0.011	2	108.3120	0.000	2	107.9594	0.969	11	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OP)	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OP)	H(CBCH)	106.3405	0.074	2	106.3405	0.006	2	107.9594	0.969	11	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	C(BC[6a]2O)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	108.1835	0.013	2	108.1835	0.000	2	107.9594	0.969	11	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OS)	H(CBCH)	C(BC[6a]2O)(CCHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OS)	H(CBCH)	107.7213	0.035	3	107.7213	0.001	3	107.9594	0.969	11	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(OC)	H(CBCH)	109.3585	0.062	2	109.3585	0.004	2	107.9594	0.969	11	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(PCCH)(H)2	B(C[6a]C[6a]2)2(CHHP)(CC)	H(CBHP)	C(BC[6a]2C)(PCCH)(H)2	B(C[6a]C[6a]2)2(CHHP)(CC)	H(CBHP)	108.2422	0.385	4	108.2422	0.148	4	108.2422	0.148	4	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:2:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CCHH)(CC)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CCHH)(CC)	H(CBCH)	108.5590	0.014	2	108.5590	0.000	2	108.5590	0.000	2	108.4550	0.644	35	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:3:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(BC[6a]2C)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CCC)	H(CBCH)	C(BC[6a]2C)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CCC)	H(CBCH)	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.5590	0.178	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:3:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-3:	C-4:	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OLiC)	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCHH)(OLiC)	H(CBCH)	109.1090	0.008	2	109.1090	0.000	2	109.1090	0.000	2	108.5590	0.178	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:3:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:N[6]-3:C-4:C-3:	C-4:	C(BC[6a]N[6]C)(CCHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBCH)	C(BC[6a]N[6]C)(CCHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBCH)	108.1755	0.018	2	108.1755	0.000	2	108.3850	0.059	4	108.5590	0.178	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:3:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:N[6]-3:C-4:C-3:	C-4:	C(BC[6a]N[6]C)(CHHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBCH)	C(BC[6a]N[6]C)(CHHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBCH)	108.5945	0.011	2	108.5945	0.000	2	108.3850	0.059	4	108.5590	0.178	7	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C-4:	C(BC[6]N[6]C)(CH3)(H)2	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	H(CBCH)	C(BC[6]N[6]C)(CH3)(H)2	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	H(CBCH)	108.7744	0.201	17	108.7744	0.040	17	108.7744	0.040	17	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCCH)(CCHH)	H(CBCH)	C(BC[6a]2C)(CCHH)(H)2	B(C[6a]C[6a]2)2(CCCH)(CCHH)	H(CBCH)	111.2075	0.880	2	111.2075	0.775	2	109.4422	0.611	18	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	H(CBCH)	C(BC[6a]2C)(CC[6a]HH)(H)2	B(C[6a]C[6a]2)2(CCHH)(CHHS)	H(CBCH)	108.8485	0.054	2	108.8485	0.003	2	109.4422	0.611	18	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CH3)(H)2	B(C[6a]C[6a]2)2(CCHH)2	H(CBCH)	C(BC[6a]2C)(CH3)(H)2	B(C[6a]C[6a]2)2(CCHH)2	H(CBCH)	108.6838	0.072	4	108.6838	0.005	4	109.4422	0.611	18	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CH3)	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)(CH3)	H(CBCH)	109.5297	0.245	6	109.5297	0.060	6	109.4422	0.611	18	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CCHH)2	H(CBCH)	109.4835	0.054	4	109.4835	0.003	4	109.4422	0.611	18	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:N[6]-3:C-4:C-4:	C-4:	C(BC[6a]N[6]C)(CHHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	H(CBCH)	C(BC[6a]N[6]C)(CHHP)(H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	H(CBCH)	108.1478	0.553	4	108.1478	0.306	4	108.1478	0.306	4	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(BN[5]2C)(CH3)(H)2	B(N[5]C[5]N[5])2(CCHH)2	H(CBCH)	C(BN[5]2C)(CH3)(H)2	B(N[5]C[5]N[5])2(CCHH)2	H(CBCH)	108.4433	0.106	4	108.4433	0.011	4	108.4433	0.011	4	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(NCCH)(H)2	B(C[6a]C[6a]2)2(CHHN)2	H(CBHN)	C(BC[6a]2C)(NCCH)(H)2	B(C[6a]C[6a]2)2(CHHN)2	H(CBHN)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(PC[6a]2W)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(BC[6a]2C)(PC[6a]2W)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	107.3114	0.606	12	107.3114	0.367	12	106.6217	0.981	23	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(PCuCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(BC[6a]2C)(PCuCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	105.4665	0.324	8	105.4665	0.105	8	106.6217	0.981	23	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(PLiCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(BC[6a]2C)(PLiCC)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	106.9433	0.230	3	106.9433	0.053	3	106.6217	0.981	23	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	B-4:P-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]N[5]C)(PFeCC)(H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHP)2	H(CBHP)	C(BC[6a]N[5]C)(PFeCC)(H)2	B(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHP)2	H(CBHP)	108.0063	0.686	12	108.0063	0.471	12	108.0063	0.471	12	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Co)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Co)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	106.6743	0.519	4	106.6743	0.269	4	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Cr)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Cr)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	107.5973	0.412	4	107.5973	0.170	4	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Ir)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Ir)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	106.9483	0.303	4	106.9483	0.092	4	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Mo)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Mo)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	107.2621	0.376	19	107.2621	0.142	19	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Pd)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Pd)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	110.2311	2.675	10	110.2311	7.155	10	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Pt)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Pt)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	108.8558	2.351	12	108.8558	5.528	12	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]2Sn)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]2Sn)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	107.6261	0.534	8	107.6261	0.285	8	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(PC[6a]C[6]Pd)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	C(PC[6a]C[6]Pd)(BC[6a]2C)(H)2	B(C[6a]C[6a]2)2(CHHP)2	H(CBHP)	111.1750	1.669	2	111.1750	2.785	2	108.1714	3.783	63	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(PC[6a]2Ir)(BN[5]2C)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBHP)	C(PC[6a]2Ir)(BN[5]2C)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBHP)	108.2773	0.105	3	108.2773	0.011	3	108.3584	0.018	5	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:4:4:	4:	P-4:B-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(PC[6a]2Rh)(BN[5]2C)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBHP)	C(PC[6a]2Rh)(BN[5]2C)(H)2	B(N[5]C[5]N[5])2(CCHH)(CHHP)	H(CBHP)	108.4800	0.007	2	108.4800	0.000	2	108.3584	0.018	5	108.1567	2.499	147	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:3:5:4:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-5:C-4:	C-4:	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	B(C[6a]C[6a]2)2(CZrH3)(CCHH)	H(CBCH)	108.3475	0.056	2	108.3475	0.003	2	108.3475	0.003	2	108.3475	0.003	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(BC[5]HH)(CC3)(H)2	B(C[5]C[5]N[5])(CCHH)(H)2	H(CBCH)	C(BC[5]HH)(CC3)(H)2	B(C[5]C[5]N[5])(CCHH)(H)2	H(CBCH)	107.8800	0.025	2	107.8800	0.001	2	107.8800	0.001	2	107.8800	0.001	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(BC[6a]HP)(CCHP)(H)2	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	H(CBCH)	C(BC[6a]HP)(CCHP)(H)2	B(C[6a]C[6a]2)(PC[6a]2C)(CCHH)(H)	H(CBCH)	109.4655	0.040	2	109.4655	0.002	2	109.4655	0.002	2	109.4655	0.002	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:2:	4:	B-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(BC[5]CO)(CH3)(H)2	B(C[5]C[5]N[5])(CCHH)2(OS)	H(CBCH)	C(BC[5]CO)(CH3)(H)2	B(C[5]C[5]N[5])(CCHH)2(OS)	H(CBCH)	108.8895	0.191	4	108.8895	0.036	4	108.8895	0.036	4	108.5959	0.086	10	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:2:	4:	B-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:O-2:	C-4:	C(BN[6]CO)(CH3)(H)2	B(N[6]C[6]2)(CCHH)2(OC)	H(CBCH)	C(BN[6]CO)(CH3)(H)2	B(N[6]C[6]2)(CCHH)2(OC)	H(CBCH)	108.4002	0.132	6	108.4002	0.017	6	108.4002	0.017	6	108.5959	0.086	10	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(BC[5]CC)(CH3)(H)2	B(C[5]C[5]N[5])(CCHH)3	H(CBCH)	C(BC[5]CC)(CH3)(H)2	B(C[5]C[5]N[5])(CCHH)3	H(CBCH)	108.2597	0.183	6	108.2597	0.034	6	109.4582	4.621	38	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(BC[5]CC)(CH3)(H)2	B(C[5]N[5]2)(CCHH)3	H(CBCH)	C(BC[5]CC)(CH3)(H)2	B(C[5]N[5]2)(CCHH)3	H(CBCH)	109.6829	2.276	32	109.6829	5.179	32	109.4582	4.621	38	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(BN[5]CC)(CH3)(H)2	B(N[5]C[5]2)(CCHH)3	H(CBCH)	C(BN[5]CC)(CH3)(H)2	B(N[5]C[5]2)(CCHH)3	H(CBCH)	108.5910	0.374	3	108.5910	0.140	3	108.4552	0.252	9	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(BN[5]CC)(CIrCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	C(BN[5]CC)(CIrCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	107.6490	0.095	2	107.6490	0.009	2	108.4552	0.252	9	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(BN[5]CC)(CRhCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	C(BN[5]CC)(CRhCH)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBCH)	108.7565	0.056	4	108.7565	0.003	4	108.4552	0.252	9	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(BN[6]CC)(CH3)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	H(CBCH)	C(BN[6]CC)(CH3)(H)2	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	H(CBCH)	108.4696	0.130	7	108.4696	0.017	7	108.4696	0.017	7	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PC[6a]2O)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PC[6a]2O)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	106.3255	0.154	4	106.3255	0.024	4	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PC[6a]2W)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PC[6a]2W)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.5568	0.316	12	108.5568	0.100	12	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PCoCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PCoCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.5712	0.173	18	108.5712	0.030	18	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PFeCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PFeCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.0268	0.449	64	108.0268	0.201	64	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PMnCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PMnCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	107.7287	0.468	21	107.7287	0.219	21	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(BC[6a]CC)(PNiCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(BC[6a]CC)(PNiCC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	107.8599	0.382	10	107.8599	0.146	10	108.0379	0.332	129	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ag)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Ag)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	107.7860	0.670	6	107.7860	0.449	6	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Co)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Co)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.4235	0.425	97	108.4235	0.180	97	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Cr)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Cr)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.4269	0.458	16	108.4269	0.210	16	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Fe)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Fe)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.6661	0.511	46	108.6661	0.261	46	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Mo)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.5818	0.313	9	108.5818	0.098	9	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ni)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Ni)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.4211	0.501	36	108.4211	0.251	36	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Rh)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Rh)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.5554	0.222	16	108.5554	0.049	16	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	C(PC[6a]2Ru)(BC[6a]CC)(H)2	B(C[6a]C[6a]2)(CHHP)3	H(CBHP)	108.4600	0.358	32	108.4600	0.128	32	108.4700	0.210	258	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ir)(BN[5]CC)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBHP)	C(PC[6a]2Ir)(BN[5]CC)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBHP)	108.5525	0.066	2	108.5525	0.004	2	108.3691	0.037	8	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	3:4:4:4:	4:	P-4:B-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Rh)(BN[5]CC)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBHP)	C(PC[6a]2Rh)(BN[5]CC)(H)2	B(N[5]C[5]N[5])(CCHH)2(CHHP)	H(CBHP)	108.3080	0.181	6	108.3080	0.033	6	108.3691	0.037	8	108.4274	0.737	449	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:B-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[6]C[6]2H)(BF3)(H)2	B(CN[6]HH)(F)3	H(CN[6]BH)	C(N[6]C[6]2H)(BF3)(H)2	B(CN[6]HH)(F)3	H(CN[6]BH)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	110.9077	0.297	3	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:1:1:1:	4:	P-4:B-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(PC[6a]3)(BF3)(H)2	B(CHHP)(F)3	H(CBHP)	C(PC[6a]3)(BF3)(H)2	B(CHHP)(F)3	H(CBHP)	110.7965	0.721	2	110.7965	0.519	2	110.7965	0.519	2	110.9077	0.297	3	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:2:2:2:	4:	C-4:B-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C-4:	C(CCHH)(BO3)(H)2	B(CCHH)(ON)3	H(CBCH)	C(CCHH)(BO3)(H)2	B(CCHH)(ON)3	H(CBCH)	108.7823	0.349	56	108.7823	0.122	56	108.7823	0.122	56	108.7823	0.122	56	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:1:1:	4:	P-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(PC[6a]2B)(BHHN)(H)2	B(CHHP)(NCCH)(H)2	H(CBHP)	C(PC[6a]2B)(BHHN)(H)2	B(CHHP)(NCCH)(H)2	H(CBHP)	108.6045	0.036	2	108.6045	0.001	2	108.6045	0.001	2	108.6045	0.001	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:3:2:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:O-3:O-2:	C-4:	C(BCOO)(CH3)(H)2	B(CCHH)2(OMnC)(OC)	H(CBCH)	C(BCOO)(CH3)(H)2	B(CCHH)2(OMnC)(OC)	H(CBCH)	108.6483	0.090	4	108.6483	0.008	4	108.6483	0.008	4	108.6483	0.008	4	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(BCCH)(CH3)(H)2	B(CCHH)3(H)	H(CBCH)	C(BCCH)(CH3)(H)2	B(CCHH)3(H)	H(CBCH)	109.6269	2.525	16	109.6269	6.376	16	109.6269	6.376	16	109.6269	6.376	16	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:2:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(BCCN)(CH3)(H)2	B(CCHH)3(NC)	H(CBCH)	C(BCCN)(CH3)(H)2	B(CCHH)3(NC)	H(CBCH)	108.2488	0.360	11	108.2488	0.130	11	108.2488	0.130	11	108.3612	0.112	26	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:2:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(BCCO)(CH3)(H)2	B(CCHH)3(OC)	H(CBCH)	C(BCCO)(CH3)(H)2	B(CCHH)3(OC)	H(CBCH)	108.4436	0.302	15	108.4436	0.091	15	108.4436	0.091	15	108.3612	0.112	26	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:3:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(BCCN)(CH3)(H)2	B(CCHH)3(NNiC)	H(CBCH)	C(BCCN)(CH3)(H)2	B(CCHH)3(NNiC)	H(CBCH)	108.4756	0.415	17	108.4756	0.172	17	108.4756	0.172	17	108.4756	0.172	17	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(BCCN)(CH3)(H)2	B(CCHH)3(NBHH)	H(CBCH)	C(BCCN)(CH3)(H)2	B(CCHH)3(NBHH)	H(CBCH)	109.3877	1.699	6	109.3877	2.886	6	109.3877	2.886	6	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	B-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(BC[6]2C)(CHHP)(H)2	B(C[6]C[6]2H)2(CCHH)(CH3)	H(CBCH)	C(BC[6]2C)(CHHP)(H)2	B(C[6]C[6]2H)2(CCHH)(CH3)	H(CBCH)	107.5475	0.015	2	107.5475	0.000	2	107.5475	0.000	2	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	B-4:P-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(BC[6]CC)(PCrCC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	C(BC[6]CC)(PCrCC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	108.4317	0.334	6	108.4317	0.111	6	108.4317	0.111	6	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Cr)(BC[6]CC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	C(PC[6a]2Cr)(BC[6]CC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	108.8097	0.280	16	108.8097	0.079	16	108.6690	0.110	49	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Cr)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	C(PC[6a]2Cr)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	108.6467	0.419	17	108.6467	0.176	17	108.6690	0.110	49	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(BC[6]CC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	C(PC[6a]2Mo)(BC[6]CC)(H)2	B(C[6]C[6]2Cr)(CHHP)3	H(CBHP)	108.5055	0.218	6	108.5055	0.048	6	108.6690	0.110	49	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	C(PC[6a]2Mo)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	108.6010	0.249	5	108.6010	0.062	5	108.6690	0.110	49	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:1:1:	4:4:4:4:	4:	P-4:B-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2W)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	C(PC[6a]2W)(BC[6]CC)(H)2	B(C[6]C[6]2W)(CHHP)3	H(CBHP)	108.5590	0.241	5	108.5590	0.058	5	108.6690	0.110	49	108.6793	0.423	63	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:3:4:4:	4:	B-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(BC[6a]2C)(CH3)(CHN)(H)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	H(CBCC)	C(BC[6a]2C)(CH3)(CHN)(H)	B(C[6a]C[6a]2)2(CCCH)(CCHH)	H(CBCC)	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:4:1:1:	4:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:Cl-1:H-1:	C-4:	C(BC[5]ClH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(Cl)(H)	H(CBCC)	C(BC[5]ClH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(Cl)(H)	H(CBCC)	107.0990	0.363	2	107.0990	0.132	2	107.0990	0.132	2	108.4374	0.928	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:4:1:1:	4:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:F-1:F-1:	C-4:	C(BC[5]FF)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(F)2	H(CBCC)	C(BC[5]FF)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(F)2	H(CBCC)	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.4374	0.928	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:4:1:1:	4:	B-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(BC[5]HH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	C(BC[5]HH)(CCHH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	108.6135	0.499	2	108.6135	0.249	2	108.6135	0.249	2	108.4374	0.928	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:4:1:1:	4:	C-4:B-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	C(CC[5a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	109.3230	0.000	1	109.3230	0.000	1	109.3203	0.013	3	108.4374	0.928	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:3:1:	3:4:1:1:	4:	C-4:B-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	C(CC[6a]HH)(BC[5]HH)(COO)(H)	B(C[5]N[5]2)(CCCH)(H)2	H(CBCC)	109.3190	0.161	2	109.3190	0.026	2	109.3203	0.013	3	108.4374	0.928	8	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:4:1:	3:3:4:1:	4:	B-4:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	B(C[6a]C[6a]2)2(CCHP)(H)	H(CBCP)	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	B(C[6a]C[6a]2)2(CCHP)(H)	H(CBCP)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:4:1:	3:3:4:2:	4:	B-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(CC)	H(CBCC)	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	B(C[6a]C[6a]2)2(CCCH)(CC)	H(CBCC)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	107.3615	3.962	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:4:1:	3:3:4:2:	4:	B-4:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	B(C[6a]C[6a]2)2(CCHP)(OS)	H(CBCP)	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	B(C[6a]C[6a]2)2(CCHP)(OS)	H(CBCP)	105.9540	0.000	1	105.9540	0.000	1	105.9540	0.000	1	107.3615	3.962	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:4:1:	4:2:1:1:	4:	P-4:P-4:B-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	H(CBPP)	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	H(CBPP)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	4:4:4:1:	4:4:1:1:	4:	B-4:B-4:Si-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	H(CSiBB)	C(BHHN)2(SiC3)(H)	B(CSiBH)(NC3)(H)2	H(CSiBB)	105.5480	2.015	2	105.5480	4.061	2	105.5480	4.061	2	105.5480	4.061	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	951	0:SP3_SP-NON_SP3	C	B	H	5:4:1:1:	3:3:3:4:	4:	Si-5:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(SiZrCNO)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CSiHH)	H(CSiBH)	C(SiZrCNO)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CSiHH)	H(CSiBH)	106.3220	0.017	2	106.3220	0.000	2	106.3220	0.000	2	106.3220	0.000	2	108.6436	1.333	1525	108.6436	1.333	1525
490	610	956	0:SP3_SP3_SP3	C	B	N	4:3:1:1:	3:3:4:4:	4:4:4:	B-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:C-4:	C(BC[6a]2C)(NCC)(H)2	B(C[6a]C[6a]2)2(CHHN)2	N(CBHH)(CH3)2	C(BC[6a]2C)(NCC)(H)2	B(C[6a]C[6a]2)2(CHHN)2	N(CBHH)(CH3)2	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1
490	610	983	0:SP3_SP1_SP3	C	B	C	4:2:1:1:	4:1:1:1:	4:2:	B-4:C-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:N-2:	C(BF3)(CN)(H)2	B(CCHH)(F)3	C(CBHH)(NRh)	C(BF3)(CN)(H)2	B(CCHH)(F)3	C(CBHH)(NRh)	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	3:3:3:4:	3:3:4:3:	B-4:P-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-3:	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	P(C[6a]C[6a]2)2(CBHH)(OLi2)	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	B(N[5]C[5]N[5])2(C[6a]C[6a]2)(CHHP)	P(C[6a]C[6a]2)2(CBHH)(OLi2)	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	3:3:3:4:	3:3:4:4:	P-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	C(PC[6a]2C)(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(CHHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	124.0530	0.000	1	124.0530	0.000	1	124.0530	0.000	1	124.0530	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	3:3:3:4:	4:4:4:1:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(BC[6a]3)(PCCH)(H)2	B(C[6a]C[6a]2)3(CHHP)	P(CBHH)(CC3)2(H)	C(BC[6a]3)(PCCH)(H)2	B(C[6a]C[6a]2)3(CHHP)	P(CBHH)(CC3)2(H)	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	3:3:4:2:	4:4:4:1:	B-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:C-4:H-1:	C(BC[6a]2C)(PCCH)(H)2	B(C[6a]C[6a]2)2(CHHP)(CC)	P(CBHH)(CC3)2(H)	C(BC[6a]2C)(PCCH)(H)2	B(C[6a]C[6a]2)2(CHHP)(CC)	P(CBHH)(CC3)2(H)	116.2270	1.970	2	116.2270	3.881	2	116.2270	3.881	2	116.2270	3.881	2	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	3:4:4:4:	3:3:4:2:	B-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(BC[6a]CC)(PC[6a]2O)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(C[6a]C[6a]2)2(CBHH)(ONi)	C(BC[6a]CC)(PC[6a]2O)(H)2	B(C[6a]C[6a]2)(CHHP)3	P(C[6a]C[6a]2)2(CBHH)(ONi)	123.9795	0.650	2	123.9795	0.422	2	123.9795	0.422	2	123.9795	0.422	2	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	4:1:1:1:	3:3:3:4:	P-4:B-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(BF3)(H)2	B(CHHP)(F)3	P(C[6a]C[6a]2)3(CBHH)	C(PC[6a]3)(BF3)(H)2	B(CHHP)(F)3	P(C[6a]C[6a]2)3(CBHH)	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(BHHN)(H)2	B(CHHP)(NCCH)(H)2	P(C[6a]C[6a]2)2(CBHH)(BH3)	C(PC[6a]2B)(BHHN)(H)2	B(CHHP)(NCCH)(H)2	P(C[6a]C[6a]2)2(CBHH)(BH3)	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:4:1:	3:3:4:1:	3:3:4:1:	B-4:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	B(C[6a]C[6a]2)2(CCHP)(H)	P(C[6a]C[6a]2)2(CBCH)(H)	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	B(C[6a]C[6a]2)2(CCHP)(H)	P(C[6a]C[6a]2)2(CBCH)(H)	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:4:1:	3:3:4:2:	3:3:4:4:	B-4:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:C-4:	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	B(C[6a]C[6a]2)2(CCHP)(OS)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	B(C[6a]C[6a]2)2(CCHP)(OS)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:4:1:	4:2:1:1:	3:3:4:1:	P-4:P-4:B-4:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	P(C[6a]C[6a]2)2(CBHP)(S)	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	P(C[6a]C[6a]2)2(CBHP)(S)	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:4:1:	4:2:1:1:	3:3:4:2:	P-4:P-4:B-4:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	P(C[6a]C[6a]2)2(CBHP)(SB)	C(PC[6a]2S)2(BHHS)(H)	B(CHPP)(SP)(H)2	P(C[6a]C[6a]2)2(CBHP)(SB)	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	992	0:SP3_SP3_SP3	C	B	P	4:4:4:4:	4:1:1:1:	3:3:3:4:	P-4:B-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(BH3)(CH3)2	B(CCCP)(H)3	P(C[6a]C[6a]2)3(CBCC)	C(PC[6a]3)(BH3)(CH3)2	B(CCCP)(H)3	P(C[6a]C[6a]2)3(CBCC)	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	117.8794	24.665	14	117.8794	24.665	14
490	610	999	0:SP3_SP3_SP3	C	B	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:1:	C[6a]-3:N[5]-4:B-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	B(CC[6a]N[5]H)(F)3	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	110.1670	1.478	2	110.1670	2.184	2	110.1670	2.184	2	110.1670	2.184	2	108.6023	8.437	3	108.6023	8.437	3
490	610	999	0:SP3_SP3_SP3	C	B	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:1:	C[6a]-3:N[5]-4:C-4:B-4:	C-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	B(CC[6a]N[5]C)(F)3	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	B(CC[6a]N[5]C)(F)3	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	105.4730	0.000	1	105.4730	0.000	1	105.4730	0.000	1	105.4730	0.000	1	108.6023	8.437	3	108.6023	8.437	3
490	618	930	0:SP3_SP2_SP2	C	B[6]	C	3:3:1:1:	2:2:4:	4:3:3:	B[6]-3:C-3:H-1:H-1:	O[6]-2:O[6]-2:C-4:	C-4:C-3:C-3:	C(B[6]O[6]2)(CCC)(H)2	B[6](O[6]C[6])2(CCHH)	C(CB[6]HH)(CHH)(CNO)	C(B[6]O[6]2)(CCC)(H)2	B[6](O[6]C[6])2(CCHH){1|C<4>,4|H<1>}	C(CB[6]HH)(CHH)(CNO)	111.9270	0.379	2	111.9270	0.144	2	111.9270	0.144	2	111.9270	0.144	2	111.0713	2.268	3	111.0713	2.268	3
490	618	930	0:SP3_SP2_SP2	C	B[6]	C	4:4:3:3:	2:2:4:	4:3:1:	C[6]-4:C[6]-4:B[6]-3:C-3:	O[6]-2:O[6]-2:C-4:	C-4:C-3:H-1:	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	B[6](O[6]C[6])2(CC[6]2C)	C(CB[6]C[6]2)(CC[6a]H)(H)	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	B[6](O[6]C[6])2(CC[6]2C){1|C<4>,4|H<1>}	C(CB[6]C[6]2)(CC[6a]H)(H)	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	111.0713	2.268	3	111.0713	2.268	3
490	618	951	0:SP3_SP-NON_SP2	C	B[6,6]	H	3:4:1:1:	4:4:4:	4:	B[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(B[6,6]C[6,6]2)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH){2|C<4>,8|H<1>}	H(CB[6,6]CH)	107.3803	0.352	10	107.3803	0.124	10	107.7825	0.244	27	107.7825	0.244	27	107.7825	0.244	27	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6,6]	H	3:4:1:1:	4:4:4:	4:	B[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH){2|C<4>,8|H<1>}	H(CB[6,6]CH)	107.6165	0.015	2	107.6165	0.000	2	107.7825	0.244	27	107.7825	0.244	27	107.7825	0.244	27	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6,6]	H	3:4:1:1:	4:4:4:	4:	B[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(B[6,6]C[6,6]2)(CHHP)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CHHP)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH){2|C<4>,8|H<1>}	H(CB[6,6]CH)	108.0172	0.412	12	108.0172	0.170	12	107.7825	0.244	27	107.7825	0.244	27	107.7825	0.244	27	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6,6]	H	3:4:1:1:	4:4:4:	4:	B[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH){2|C<4>,8|H<1>}	H(CB[6,6]CH)	108.2947	0.346	3	108.2947	0.120	3	107.7825	0.244	27	107.7825	0.244	27	107.7825	0.244	27	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:1:1:1:	3:3:4:	4:	B[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(B[6]C[6,6a]2)(H)3	B[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CB[6]HH)	C(B[6]C[6,6a]2)(H)3	B[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	H(CB[6]HH)	109.4730	0.017	3	109.4730	0.000	3	109.4730	0.000	3	109.4766	0.001	11	109.4600	0.025	21	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:1:1:1:	3:3:4:	4:	B[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(B[6]C[6]N[6])(H)3	B[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(CB[6]HH)	C(B[6]C[6]N[6])(H)3	B[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|Cr<9>,1|H<1>,2|C<4>}	H(CB[6]HH)	109.4463	0.044	3	109.4463	0.002	3	109.4463	0.002	3	109.4766	0.001	11	109.4600	0.025	21	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:1:1:1:	3:3:4:	4:	B[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C-4:	C(B[6]N[6]2)(H)3	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3)	H(CB[6]HH)	C(B[6]N[6]2)(H)3	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3){1|Cr<9>,2|C<3>,3|C<4>}	H(CB[6]HH)	109.4970	0.032	5	109.4970	0.001	5	109.4970	0.001	5	109.4766	0.001	11	109.4600	0.025	21	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:1:1:1:	4:3:4:	4:	B[6]-3:H-1:H-1:H-1:	C[6,6]-4:N[6]-3:C-4:	C-4:	C(B[6]C[6,6]N[6])(H)3	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3)	H(CB[6]HH)	C(B[6]C[6,6]N[6])(H)3	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(CB[6]HH)	109.4913	0.025	4	109.4913	0.001	4	109.4913	0.001	4	109.4913	0.001	4	109.4600	0.025	21	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:3:1:1:	2:2:4:	4:	B[6]-3:C-3:H-1:H-1:	O[6]-2:O[6]-2:C-4:	C-4:	C(B[6]O[6]2)(CCC)(H)2	B[6](O[6]C[6])2(CCHH)	H(CB[6]CH)	C(B[6]O[6]2)(CCC)(H)2	B[6](O[6]C[6])2(CCHH){1|C<4>,4|H<1>}	H(CB[6]CH)	109.2155	0.085	4	109.2155	0.007	4	109.2155	0.007	4	109.2155	0.007	4	109.4600	0.025	21	108.5164	0.853	48
490	618	951	0:SP3_SP-NON_SP2	C	B[6]	H	3:4:1:1:	3:3:4:	4:	B[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(B[6]C[6,6a]2)(CH3)(H)2	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CB[6]CH)	C(B[6]C[6,6a]2)(CH3)(H)2	B[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|B<3>,2|H<1>,4|C<3>}	H(CB[6]CH)	109.7955	0.005	2	109.7955	0.000	2	109.7955	0.000	2	109.7955	0.000	2	109.4600	0.025	21	108.5164	0.853	48
490	623	951	0:SP3_SP-NON_SP3	C	N[4a,6a]	H	4:4:1:1:	5:4:4:4:	4:	N[4a,6a]-4:C-4:H-1:H-1:	B[3,3,4a,6a]-5:B[3,4a,6a]-4:C-4:C-4:	C-4:	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2	H(CN[4a,6a]CH)	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H)(CCHH)2{1|B<5>,3|B<6>,3|H<1>}	H(CN[4a,6a]CH)	108.6615	0.151	4	108.6615	0.023	4	108.6615	0.023	4	108.6615	0.023	4	108.6710	0.012	7	108.6710	0.012	7
490	623	951	0:SP3_SP-NON_SP3	C	N[4a,6a]	H	4:4:1:1:	5:5:4:4:	4:	N[4a,6a]-4:C-4:H-1:H-1:	B[3,3,4a,6a]-5:B[3,4a,6a]-5:C-4:C-4:	C-4:	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2	H(CN[4a,6a]CH)	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	N[4a,6a](B[3,3,4a,6a]B[4x3,4a,5]B[4x3,5,6a]H[3]H)(B[3,4a,6a]B[3x3,5,6a]B[4x3,4a,5]RhH)(CCHH)2{3|B<6>,3|H<1>}	H(CN[4a,6a]CH)	108.6837	0.052	3	108.6837	0.003	3	108.6837	0.003	3	108.6837	0.003	3	108.6710	0.012	7	108.6710	0.012	7
490	638	830	0:SP3_SP-NON_SP-NON	C	I[5]	F	3:1:1:1:	3:2:4:	4:	I[5]-3:F-1:F-1:F-1:	C[5,6a]-3:O[5]-2:C-4:	C-4:	C(I[5]C[5,6a]O[5])(F)3	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)	F(CI[5]FF)	C(I[5]C[5,6a]O[5])(F)3	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3){1|H<1>,2|C<3>,2|C<4>}	F(CI[5]FF)	111.9980	6.519	3	111.9980	42.498	3	111.9980	42.498	3	111.9980	42.498	3	111.9980	42.498	3	111.9980	42.498	3
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	114.7470	0.000	1	114.7470	0.000	1	114.3953	1.779	3	113.1470	3.806	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	114.2195	1.836	2	114.2195	3.372	2	114.3953	1.779	3	113.1470	3.806	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.2630	0.000	1	110.2630	0.000	1	112.0030	6.055	2	113.1470	3.806	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	113.7430	0.000	1	113.7430	0.000	1	112.0030	6.055	2	113.1470	3.806	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	113.1470	3.806	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	112.9440	0.113	2	112.6153	0.633	4	112.6153	0.633	4	112.6153	0.633	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	112.2865	1.206	2	112.6153	0.633	4	112.6153	0.633	4	112.6153	0.633	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF)	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF)	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|C<3>,2|H<1>}	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.0675	1.203	2	115.0675	1.447	2	115.0675	1.447	2	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.4020	0.000	1	112.4020	0.000	1	113.7564	2.149	5	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.0950	1.450	4	114.0950	2.102	4	113.7564	2.149	5	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.2480	0.000	1	113.6850	0.634	2	113.6850	0.634	2	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.1220	0.000	1	113.6850	0.634	2	113.6850	0.634	2	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,3|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.9790	3.060	2	112.9790	9.366	2	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	111.5440	0.000	1	111.5440	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	117.0690	0.000	1	117.0690	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	113.5490	0.000	1	113.5490	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	112.1460	0.000	1	113.7656	5.135	5	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.7125	2.947	2	113.7656	5.135	5	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.6285	0.274	2	113.7656	5.135	5	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	110.7980	0.000	1	110.7980	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.9440	0.000	1	111.9440	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.4870	0.000	1	112.4870	0.000	1	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	108.2910	0.000	1	107.9343	0.208	3	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	107.7560	0.475	2	107.9343	0.208	3	112.2488	8.427	16	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	113.1090	0.000	1	113.1090	0.000	1	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	113.3430	0.000	1	113.3430	0.000	1	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	112.9810	0.000	1	113.2068	0.342	6	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	113.2555	0.837	2	113.2068	0.342	6	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.8960	0.000	1	113.2068	0.342	6	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	112.9265	0.569	2	113.2068	0.342	6	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.8710	0.000	1	115.8710	0.000	1	113.5071	1.003	9	113.2353	5.550	36	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-2:C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](N[6a]C[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	116.1740	0.000	1	116.1740	0.000	1	113.4281	3.031	8	113.4281	3.031	8	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	2:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-2:C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](N[6a]N[6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	113.0359	1.449	7	113.0359	2.100	7	113.4281	3.031	8	113.4281	3.031	8	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	2:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	111.8770	0.000	1	111.8770	0.000	1	115.0930	2.152	10	115.0930	2.152	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	116.0727	0.373	3	116.0727	0.139	3	115.0930	2.152	10	115.0930	2.152	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	115.5750	1.529	3	115.5750	2.338	3	115.0930	2.152	10	115.0930	2.152	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	114.7033	0.135	3	114.7033	0.018	3	115.0930	2.152	10	115.0930	2.152	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH)	C(C[6a]C[6a]2)2(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH){1|C<4>,2|C<3>}	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2)	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]Cl2){1|C<3>,1|F<1>,1|H<1>}	116.8800	0.000	1	116.8800	0.000	1	114.7465	2.376	4	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2)	C[6a](C[6a]C[6a]H)2(CC[6a]Cl2)	C(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]Cl2){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]Cl2){1|C<3>,2|H<1>}	114.0353	0.727	3	114.0353	0.529	3	114.7465	2.376	4	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FF)	C[6a](C[6a]C[6a]H)2(CC[6a]FF)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(F)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FF){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]FF){1|H<1>,2|C<3>}	114.8820	2.444	2	114.8820	5.972	2	114.8820	5.972	2	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	108.0260	0.000	1	108.0260	0.000	1	114.7292	25.590	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	121.9460	0.000	1	121.9460	0.000	1	114.7292	25.590	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.4900	0.000	1	114.4900	0.000	1	114.7292	25.590	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	112.9720	0.000	1	114.5920	5.249	2	114.7292	25.590	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	116.2120	0.000	1	114.5920	5.249	2	114.7292	25.590	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])2(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])2(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	116.2020	0.000	1	116.2020	0.000	1	113.6824	3.212	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	112.3235	0.418	2	112.3235	0.175	2	113.6824	3.212	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.7815	1.616	2	113.7815	2.611	2	113.6824	3.212	5	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	113.1950	2.232	2	113.1950	4.980	2	113.1950	4.980	2	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	109.8920	0.062	2	109.8920	0.004	2	109.8920	0.004	2	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	118.0170	0.000	1	118.0170	0.000	1	115.0835	17.211	2	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.1500	0.000	1	112.1500	0.000	1	115.0835	17.211	2	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6570	0.000	1	113.7517	3.805	3	113.7517	3.805	3	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.7480	0.000	1	113.7517	3.805	3	113.7517	3.805	3	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	111.8500	0.000	1	113.7517	3.805	3	113.7517	3.805	3	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){2|H<1>,5|C<3>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	115.4130	0.000	1	115.4130	0.000	1	116.4656	2.910	72	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	114.0343	1.765	3	116.4804	2.935	71	116.4656	2.910	72	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	116.5894	1.747	41	116.4804	2.935	71	116.4656	2.910	72	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	116.5867	1.499	27	116.4804	2.935	71	116.4656	2.910	72	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.7385	0.655	2	115.7385	0.430	2	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.3830	0.216	2	115.3830	0.047	2	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	114.9800	0.000	1	114.9800	0.000	1	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.1360	0.000	1	113.8135	5.628	2	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.4910	0.000	1	113.8135	5.628	2	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	115.0705	0.351	2	115.0705	0.124	2	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,2|H<1>}	115.1566	0.816	11	115.1566	0.667	11	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.9560	0.000	1	114.9560	0.000	1	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	116.5860	0.000	1	116.5860	0.000	1	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.7960	0.000	1	112.7960	0.000	1	115.0457	1.123	23	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	106.9839	2.114	9	106.9839	4.469	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	114.7540	0.000	1	115.9615	2.916	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	117.1690	0.000	1	115.9615	2.916	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.0035	0.309	2	114.0035	0.095	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	116.1250	0.000	1	116.1250	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	113.8280	0.923	3	113.8280	0.852	3	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	109.9370	0.231	4	109.9370	0.053	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	115.1520	1.329	2	114.8717	2.544	6	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	116.0795	1.044	2	114.8717	2.544	6	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	113.3835	1.535	2	114.8717	2.544	6	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	115.0610	0.000	1	115.0610	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	112.1020	0.414	2	112.1020	0.172	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	108.1030	1.858	2	108.1030	3.453	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	109.1017	2.461	6	109.1017	6.054	6	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.3510	0.000	1	114.3510	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]HH){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	116.0130	0.000	1	116.0130	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CC[6a]HH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	117.1140	0.000	1	117.1140	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	110.3090	0.000	1	110.3090	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6290	0.000	1	113.6290	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.4840	0.000	1	111.4840	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.9450	0.000	1	111.9450	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	115.6680	0.000	1	115.6680	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	116.2720	0.000	1	116.0555	0.094	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.8390	0.000	1	116.0555	0.094	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	113.9984	1.655	8	113.9984	2.738	8	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH){2|C<3>}	113.6570	0.000	1	113.6570	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	107.4140	0.000	1	107.5785	0.054	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	107.7430	0.000	1	107.5785	0.054	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.5840	0.000	1	112.5840	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.7440	0.000	1	114.7440	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	116.8490	0.000	1	116.8490	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)2(CC[6a]HH){2|H<1>,5|C<3>}	114.8195	0.108	2	114.8195	0.012	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	112.1820	1.022	5	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	114.3080	1.755	4	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	112.9789	1.891	93	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<4>}	111.1820	0.983	3	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	112.4061	2.767	16	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	113.6988	2.073	6	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	114.4200	0.000	1	112.9206	4.020	128	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	107.3970	0.000	1	107.3970	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH){1|C<3>,2|H<1>}	114.1060	0.000	1	114.1060	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	110.4900	0.799	3	110.4900	0.638	3	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	112.2090	0.529	2	112.7213	4.023	12	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	111.2645	2.218	2	112.7213	4.023	12	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.9093	1.767	6	112.7213	4.023	12	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	111.1265	2.263	2	112.7213	4.023	12	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|F<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH){1|C<3>,1|H<1>}	114.2590	0.098	2	114.2590	0.010	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.5615	1.846	2	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	114.2690	0.085	2	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.1658	1.730	4	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.6070	1.254	2	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	112.9380	0.000	1	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.5403	0.292	4	114.7091	1.714	15	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|O<2>}	114.4365	1.250	6	114.4365	1.561	6	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	117.2830	0.000	1	116.9946	2.632	7	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|C<4>}	116.9465	1.772	6	116.9946	2.632	7	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	119.2954	0.658	19	119.4582	1.028	28	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	121.9560	0.000	1	119.4582	1.028	28	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	119.5326	1.372	8	119.4582	1.028	28	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.4008	0.950	4	115.4008	0.903	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.2080	0.000	1	111.2080	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	118.5480	1.707	2	118.5480	2.914	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	111.6900	0.235	4	111.6900	0.055	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH){2|C<3>,2|H<1>,2|O<2>}	113.9150	0.000	1	113.9150	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.4840	0.874	2	111.4840	0.764	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH){1|C<3>,2|F<1>}	111.0010	0.000	1	111.0010	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.2610	0.000	1	111.2610	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	110.1335	0.795	4	110.1335	0.631	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	115.3260	0.000	1	115.3260	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|Cl<1>,1|N<2>}	114.5285	0.231	2	114.7550	0.181	3	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|N<3>,1|O<1>}	115.2080	0.000	1	114.7550	0.181	3	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.6653	2.313	4	114.6653	5.352	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.5020	0.000	1	111.5020	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	116.8300	0.000	1	115.2250	5.152	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	113.6200	0.000	1	115.2250	5.152	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)2(CC[6a]HH){2|H<1>,5|C<3>}	115.1610	3.465	2	115.1610	12.005	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	114.2980	0.000	1	114.2980	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,4|C<3>}	112.3561	1.182	14	112.3561	1.398	14	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	116.1067	0.959	3	115.5613	1.458	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	115.2887	1.303	6	115.5613	1.458	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	114.4861	2.260	7	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	112.9816	3.076	28	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	109.8085	0.361	2	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	110.7097	1.268	12	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	114.1700	0.000	1	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	112.5960	2.254	2	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.4324	2.886	272	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	112.6840	1.806	2	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	110.5584	1.450	18	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|P<4>}	109.9090	1.120	6	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	110.7896	1.170	18	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	114.8275	1.385	22	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	111.5703	2.942	30	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	110.2270	0.782	8	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	110.4804	1.825	7	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	114.4695	2.446	22	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	111.3387	1.151	10	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|P<4>}	109.5790	0.000	1	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	110.7330	1.685	10	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<4>}	112.3127	2.185	23	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	114.8770	1.918	4	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	112.0364	1.688	329	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	113.0181	2.776	345	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	112.4033	3.314	3	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	111.5403	1.907	51	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	114.1502	0.486	4	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	113.1515	0.503	2	112.6350	6.531	1239	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|C<4>}	116.2237	0.316	4	116.2237	0.100	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.8112	1.568	6	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.4770	1.195	6	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.8240	0.225	2	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	116.9090	1.541	4	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.5910	0.000	1	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.1450	0.000	1	114.8374	3.174	20	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.8962	2.785	4	113.6121	4.828	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	116.7720	0.000	1	113.6121	4.828	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	112.5380	0.377	4	113.6121	4.828	9	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|H<1>}	114.6354	2.413	10	114.6354	5.823	10	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH){1|C<3>,2|H<1>}	113.2860	0.000	1	113.2860	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.7950	0.000	1	114.7950	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6520	0.000	1	113.6520	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	115.1270	0.000	1	115.1270	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	115.0553	1.672	3	114.6094	1.801	5	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	114.1850	0.000	1	114.6094	1.801	5	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6960	0.000	1	114.6094	1.801	5	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|H<1>}	115.5690	0.000	1	114.8985	0.899	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<4>}	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	114.2280	0.000	1	114.8985	0.899	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	115.1485	0.883	2	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	112.7020	0.315	2	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	113.0185	0.029	2	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	114.3090	0.000	1	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	112.9951	1.796	16	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6835	2.239	95	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	114.5368	1.335	9	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|N<2>,2|H<1>}	111.5970	0.000	1	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	113.2798	1.136	4	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|O<2>,2|C<3>}	113.5940	0.000	1	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	115.9000	0.000	1	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){3|C<3>}	116.0320	0.000	1	113.6664	4.297	135	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	116.2390	0.000	1	116.2390	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]N[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|H<1>}	112.0180	0.000	1	112.0180	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.5810	0.000	1	115.5810	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	111.4915	1.579	4	111.4915	2.494	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	117.2820	0.000	1	117.2820	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	111.1360	1.703	2	111.1360	2.899	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH){1|C<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.5860	0.000	1	114.5860	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	112.1119	3.329	8	112.1119	11.082	8	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.3360	2.380	2	113.3360	5.665	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.4010	0.000	1	114.4010	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	116.8000	0.000	1	116.8000	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	113.4425	0.384	2	115.0111	2.102	13	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	115.1141	1.481	9	115.0111	2.102	13	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<4>,2|C<3>}	116.1160	0.243	2	115.0111	2.102	13	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH){1|In<4>,1|In<5>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH){1|In<4>,1|In<5>,1|C<3>,2|H<1>}	113.3610	0.395	2	113.3610	0.156	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CC[6a]HH){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	118.2020	0.000	1	118.2020	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH){1|C<3>,2|H<1>}	107.5210	0.000	1	107.5210	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	109.5985	2.340	2	109.5985	5.475	2	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	116.7290	0.000	1	116.7290	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	111.1640	0.000	1	111.1640	0.000	1	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.9410	0.000	1	113.7060	0.060	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.6277	0.230	3	113.7060	0.060	4	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|O<2>}	116.9380	1.363	5	116.9380	1.859	5	112.9822	7.109	1805	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	113.8010	0.000	1	113.8010	0.000	1	114.5877	1.677	8	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	114.8670	0.000	1	114.8670	0.000	1	114.5877	1.677	8	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	113.3545	0.589	2	114.8918	3.343	4	114.5877	1.677	8	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	116.4290	0.479	2	114.8918	3.343	4	114.5877	1.677	8	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	114.2335	0.629	2	114.2335	0.395	2	114.5877	1.677	8	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]O)2(CC[6a]HO)	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]HO){1|C<3>,2|C<4>}	113.9247	1.416	3	113.9247	2.006	3	113.9247	2.006	3	113.1602	7.355	1940	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	110.9068	1.480	9	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.5785	1.117	2	112.5785	1.247	2	112.5785	1.247	2	110.9068	1.480	9	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.5046	0.844	5	110.5046	0.712	5	110.5046	0.712	5	110.9068	1.480	9	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.9068	1.480	9	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	111.7833	1.027	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	111.1470	0.000	1	111.1470	0.000	1	112.0495	1.629	2	111.7833	1.027	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	112.9520	0.000	1	112.9520	0.000	1	112.0495	1.629	2	111.7833	1.027	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.8350	0.000	1	110.8350	0.000	1	112.4522	4.240	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.4380	0.000	1	109.4380	0.000	1	112.4522	4.240	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	112.9395	1.387	2	112.9395	1.923	2	112.4522	4.240	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.2805	0.647	2	114.2805	0.419	2	112.4522	4.240	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(HMo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)2(HMo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.4260	0.000	1	114.4260	0.000	1	112.5757	2.455	21	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	109.9310	0.359	2	109.9310	0.129	2	112.5757	2.455	21	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.0997	1.203	15	113.0997	1.447	15	112.5757	2.455	21	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.4660	0.000	1	110.4660	0.000	1	112.5757	2.455	21	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.4195	0.260	2	111.4195	0.067	2	112.5757	2.455	21	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO){1|C<3>,2|H<1>}	115.4280	0.000	1	115.4280	0.000	1	113.5622	2.970	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	115.3690	0.000	1	115.3690	0.000	1	113.5622	2.970	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.9060	1.398	3	112.9060	1.955	3	113.5622	2.970	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	111.8580	0.000	1	111.8580	0.000	1	113.5622	2.970	6	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	113.4723	1.418	6	113.4723	2.012	6	113.2758	1.692	8	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	112.0330	0.000	1	112.0330	0.000	1	113.2758	1.692	8	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	113.3390	0.000	1	113.3390	0.000	1	113.2758	1.692	8	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.3670	0.000	1	111.3670	0.000	1	111.0193	0.323	3	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.3280	0.000	1	111.3280	0.000	1	111.0193	0.323	3	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.3630	0.000	1	110.3630	0.000	1	111.0193	0.323	3	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]HO)	C[6a](C[6a]C[6a]F)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]HO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]HO){1|C<3>,2|F<1>}	110.1835	1.176	6	110.1835	1.382	6	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	109.8850	0.000	1	109.8850	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.8445	2.207	2	110.8445	4.870	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.7170	0.000	1	112.7170	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	112.3740	0.000	1	112.3740	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.8340	0.000	1	113.8340	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	112.7205	2.672	2	111.4600	4.500	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	110.1995	0.063	2	111.4600	4.500	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	117.3980	0.000	1	113.2110	8.889	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.4210	0.000	1	113.2110	8.889	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.5125	0.614	2	113.2110	8.889	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	115.1730	0.105	2	115.1730	0.011	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.4270	0.000	1	111.0865	0.232	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.7460	0.000	1	111.0865	0.232	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	110.5020	0.747	2	110.2920	0.411	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	109.8720	0.000	1	110.2920	0.411	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.2580	0.000	1	112.2580	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.6350	0.000	1	110.6350	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.2810	0.000	1	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	114.2700	0.000	1	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	115.4695	1.494	2	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.9408	1.712	38	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.5160	0.000	1	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	114.3600	0.000	1	113.9799	2.757	44	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.8510	0.000	1	113.8510	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	114.8138	0.721	5	114.8138	0.520	5	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	114.8017	0.482	4	114.8017	0.233	4	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.9268	1.220	6	112.9268	1.488	6	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.6767	0.457	3	111.6767	0.209	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OFe)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OFe)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.1360	0.000	1	111.1360	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.0960	0.000	1	113.0960	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	114.9845	0.919	2	114.9845	0.844	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.6390	0.000	1	111.6390	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	112.1280	0.000	1	112.1280	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	105.4330	0.000	1	105.4330	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|O<2>}	110.9700	0.000	1	113.0300	8.487	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	115.0900	0.000	1	113.0300	8.487	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.4900	2.085	2	113.4900	4.345	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	113.8960	0.000	1	113.8960	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.7500	1.127	2	112.4437	0.917	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.8310	0.000	1	112.4437	0.917	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.2095	0.052	2	112.2095	0.003	2	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.2970	0.000	1	111.2970	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.7510	0.482	3	112.7510	0.233	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.1680	0.000	1	111.1680	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OIr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	C(C[6a]C[6a]2)2(OIr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	108.8250	0.000	1	108.8250	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OMg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OMg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.2910	0.000	1	113.2910	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OMo)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OMo)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.3150	0.000	1	110.3150	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.8943	2.578	3	111.8943	6.647	3	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OSn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OSn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	111.8630	0.000	1	111.8630	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OZn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OZn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.8680	0.000	1	110.8680	0.000	1	112.9103	4.346	122	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	114.0110	0.720	4	114.0110	0.519	4	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	116.3390	0.000	1	112.7510	9.679	3	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	110.9570	0.216	2	112.7510	9.679	3	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	113.8390	0.000	1	113.8390	0.000	1	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	113.4355	0.408	4	113.4355	0.167	4	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C(C[6a]C[6a]2)2(SS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	118.6780	0.000	1	118.6780	0.000	1	113.8889	4.093	13	112.9165	3.916	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.9110	0.139	2	110.9110	0.019	2	110.1216	1.942	50	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	109.9747	3.703	3	109.9747	13.712	3	110.1216	1.942	50	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.6530	0.511	2	110.6530	0.261	2	110.1216	1.942	50	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.0675	1.263	42	110.0675	1.596	42	110.1216	1.942	50	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.1950	0.000	1	110.1950	0.000	1	110.1216	1.942	50	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	C(C[6a]C[6a]2)2(OC)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|C<3>,2|H<1>}	110.8205	0.260	2	110.8205	0.067	2	109.8297	2.979	3	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OH)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	C[6a](C[6a]C[6a]H)2(CC[6a]OO)	C(C[6a]C[6a]2)2(OH)2	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]OO){1|N<2>,2|H<1>}	107.8480	0.000	1	107.8480	0.000	1	109.8297	2.979	3	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC)2	C[6a](C[6a]C[6a]H)2(CC[6a]SS)	C[6a](C[6a]C[6a]H)2(CC[6a]SS)	C(C[6a]C[6a]2)2(SC)2	C[6a](C[6a]C[6a]H)2(CC[6a]SS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]SS){1|C<3>,2|H<1>}	111.3540	0.219	2	111.3540	0.048	2	111.3540	0.048	2	110.1505	1.933	55	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:2:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP)	C[6a](C[6a]C[6a]H)2(CC[6a]OP)	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]OP){1|C<3>,2|H<1>}	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	2:3:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	111.6453	2.864	4	111.6453	8.201	4	111.6453	8.201	4	111.6453	8.201	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.3752	3.323	4	112.3752	11.042	4	112.3752	11.042	4	112.0862	8.205	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	109.6510	0.000	1	109.6510	0.000	1	111.5080	6.897	2	112.0862	8.205	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.3650	0.000	1	113.3650	0.000	1	111.5080	6.897	2	112.0862	8.205	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	110.9150	0.000	1	112.7657	2.575	3	112.7657	2.575	3	112.3612	3.632	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	113.6910	0.115	2	112.7657	2.575	3	112.7657	2.575	3	112.3612	3.632	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	109.7360	0.000	1	109.7360	0.000	1	111.7545	8.149	2	112.3612	3.632	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	113.7730	0.000	1	113.7730	0.000	1	111.7545	8.149	2	112.3612	3.632	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.2765	1.081	2	112.2765	1.169	2	112.2765	1.169	2	111.4327	3.539	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	110.4265	3.314	2	110.4265	10.984	2	111.1527	7.074	3	111.4327	3.539	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]2H){1|C<3>,2|H<1>}	112.6050	0.000	1	112.6050	0.000	1	111.1527	7.074	3	111.4327	3.539	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	111.4327	3.539	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	112.7940	0.249	2	112.7940	0.062	2	113.2000	0.525	3	112.3338	2.364	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	114.0120	0.000	1	114.0120	0.000	1	113.2000	0.525	3	112.3338	2.364	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	112.3338	2.364	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	112.3338	2.364	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH)	C[6a](C[6a]C[6a]F)2(CC[6a]BH)	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]BH){1|C<3>,2|F<1>}	115.6130	0.000	1	115.6130	0.000	1	115.6130	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	113.5730	0.000	1	113.5730	0.000	1	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.7090	0.859	5	114.5378	0.766	6	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.6820	0.000	1	114.5378	0.766	6	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6100	0.000	1	112.6100	0.000	1	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	113.4380	0.000	1	113.4380	0.000	1	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	115.4470	0.000	1	115.4470	0.000	1	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.6270	0.000	1	113.6270	0.000	1	114.1747	0.989	11	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.5920	0.000	1	112.5920	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	112.6050	0.000	1	112.6050	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.4170	0.286	2	113.4170	0.082	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	111.9560	0.000	1	111.9560	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.2080	0.004	2	114.2080	0.000	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	111.1120	0.000	1	111.5625	0.406	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.0130	0.000	1	111.5625	0.406	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6265	0.047	2	112.6265	0.002	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.3980	1.131	5	112.3980	1.280	5	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.7350	0.000	1	110.7350	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.3693	2.286	3	112.3693	5.228	3	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.0990	0.000	1	112.0990	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.9180	0.000	1	111.9180	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.5580	0.000	1	113.5580	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.1650	0.994	3	113.1650	0.987	3	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	115.1600	0.000	1	115.1600	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.8480	0.000	1	114.0405	0.074	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.2330	0.000	1	114.0405	0.074	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.7335	2.249	2	112.7335	5.059	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CClC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CClC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.0350	2.222	3	113.0350	4.937	3	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	113.2185	0.457	2	113.2185	0.209	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.7670	0.000	2	113.7670	0.000	2	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	114.3663	1.311	10	114.3663	1.718	10	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.8880	0.000	1	114.8880	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.9362	1.669	14	113.9362	2.785	14	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6082	0.637	4	112.6082	0.405	4	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.9470	0.000	1	112.9470	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	115.1670	0.000	1	115.1670	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	116.1880	0.000	1	116.1880	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.8900	0.000	1	114.8900	0.000	1	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	109.3370	0.099	2	110.8473	6.848	3	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	113.8680	0.000	1	110.8473	6.848	3	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.5150	0.000	1	113.3412	2.290	21	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	115.5270	0.000	1	113.3412	2.290	21	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.1644	1.473	19	113.3412	2.290	21	113.3259	2.462	96	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])3(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])3(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	114.3393	1.002	3	114.3393	1.004	3	114.3393	1.004	3	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	116.5780	0.000	1	116.5780	0.000	1	114.6857	3.336	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.6420	0.000	1	113.6420	0.000	1	114.6857	3.336	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	114.2615	2.231	2	114.2615	4.977	2	114.6857	3.336	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	116.0040	0.000	1	116.0040	0.000	1	116.0040	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]2H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.6270	1.732	2	111.6270	3.001	2	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	115.0810	3.543	4	115.0810	12.556	4	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	111.0910	0.000	1	111.0910	0.000	1	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.7564	1.209	12	111.8936	1.319	17	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.4613	1.022	4	111.8936	1.319	17	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.2700	0.000	1	111.8936	1.319	17	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	110.7280	0.000	1	110.7280	0.000	1	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	115.0177	0.595	3	113.9680	2.244	5	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.3935	0.083	2	113.9680	2.244	5	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.6170	0.092	2	113.6170	0.008	2	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.6405	0.909	2	112.6405	0.826	2	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	114.0130	0.478	2	114.0130	0.228	2	112.7214	3.643	36	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	114.2460	0.000	1	114.2460	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	109.9310	0.000	1	109.9310	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	108.3155	0.370	2	108.3155	0.137	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.4870	0.000	1	113.6675	0.065	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	113.8480	0.000	1	113.6675	0.065	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.4530	0.564	2	112.9881	2.195	12	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.8951	1.609	10	112.9881	2.195	12	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	110.0800	0.000	1	110.0800	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0875	0.226	2	112.0875	0.051	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0217	0.295	3	112.0217	0.087	3	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0140	1.260	4	112.0140	1.587	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.0640	1.612	4	111.0640	2.598	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.9771	2.196	12	112.0317	4.779	18	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1410	2.369	6	112.0317	4.779	18	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H){2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H){2|C<3>}	112.1305	0.192	2	112.1305	0.037	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	115.1162	1.787	4	115.1162	3.192	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	113.4833	0.399	3	113.8366	5.223	23	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	111.9210	0.956	2	113.8366	5.223	23	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	114.1083	2.481	18	113.8366	5.223	23	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	113.8028	2.167	12	113.8028	4.697	12	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	112.5545	0.233	2	112.8827	1.039	6	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	112.1150	1.153	2	112.8827	1.039	6	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	113.9785	0.120	2	112.8827	1.039	6	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.4020	0.423	2	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|F<1>,1|H<1>}	112.6885	3.217	2	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	112.5835	1.018	2	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	111.7285	1.227	2	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	112.5876	1.662	20	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.3825	1.844	4	112.5652	2.539	32	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|C<4>}	110.2690	0.000	1	110.2690	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.6775	0.565	2	113.0820	2.760	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	113.4865	2.703	2	113.0820	2.760	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	112.1750	0.892	8	112.1750	0.796	8	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	111.8192	0.669	4	111.8192	0.448	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.9232	1.373	4	111.9232	1.885	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	114.2545	2.845	2	114.2545	8.092	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1510	1.246	6	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.4980	1.234	38	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.9040	1.175	2	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0017	1.168	36	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.6502	1.145	16	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.4860	0.436	2	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.3888	1.626	628	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.4302	1.379	12	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0611	1.585	32	112.3191	2.500	772	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	111.2255	0.654	2	111.2255	0.428	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	112.2310	0.673	4	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	111.5055	1.137	4	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	111.8610	0.000	1	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	113.8429	2.225	46	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	112.6301	1.806	19	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	111.6331	1.704	7	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	113.2315	1.710	2	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|H<1>,2|C<3>}	110.8080	0.481	6	112.9921	4.523	89	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	111.6453	2.156	6	111.6453	4.648	6	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0113	2.383	8	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.6376	1.250	8	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.4605	0.555	2	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	111.9490	0.369	2	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1987	1.382	72	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.9769	0.892	8	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|O<2>}	112.3220	0.778	18	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1093	1.645	24	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.8430	1.505	2	112.1544	1.899	144	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	112.6613	2.079	3	112.6613	4.322	3	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.2245	1.216	4	112.2245	1.479	4	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1090	1.543	4	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.9609	2.510	18	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	113.3170	0.641	2	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0468	0.489	4	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	112.5995	0.388	2	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.9675	0.916	4	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|N<2>,2|H<1>}	112.6145	0.009	2	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	112.8219	0.752	15	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.3495	1.250	50	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.6166	1.518	679	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<4>,2|C<3>}	112.0312	1.402	6	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|H<1>,2|C<3>}	111.7560	0.372	2	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.4300	1.467	6	112.5788	2.274	794	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]2H){1|C<3>,2|H<1>}	113.9375	0.554	2	113.9375	0.307	2	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0783	1.551	12	112.0129	2.615	266	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.0695	1.252	2	112.0129	2.615	266	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	112.1205	1.537	59	112.0129	2.615	266	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	111.9753	1.656	193	112.0129	2.615	266	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]2H){1|C<3>,2|H<1>}	115.8060	0.000	1	115.8060	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	114.7780	1.025	6	114.7780	1.051	6	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	116.5640	0.371	3	116.5640	0.138	3	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H){1|Cl<1>,1|C<3>,1|N<2>}	112.1990	0.000	1	112.1990	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]2H){1|C<3>,2|H<1>}	112.9150	0.000	1	112.9150	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	115.1990	0.000	1	115.1990	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	114.3960	0.000	1	114.3960	0.000	1	112.4335	2.651	2248	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	113.6310	0.000	1	113.6310	0.000	1	113.6310	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.8880	0.000	1	110.8880	0.000	1	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	113.8765	0.559	2	113.8765	0.313	2	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|C<4>,1|H<1>}	114.9225	0.009	2	113.0584	2.872	21	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	111.0200	0.000	1	113.0584	2.872	21	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.9645	1.648	18	113.0584	2.872	21	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.9060	0.000	1	111.9060	0.000	1	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	111.8480	0.365	2	111.8480	0.133	2	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,2|H<1>}	111.6900	0.000	1	111.6900	0.000	1	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.3360	0.000	1	111.3360	0.000	1	112.8102	2.544	29	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NBaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NBaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	109.8485	0.220	2	109.8485	0.048	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.3840	1.691	2	113.3840	2.861	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.5420	0.000	1	110.5420	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.3921	1.983	18	112.3921	3.933	18	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	110.6540	0.000	1	110.6540	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	115.3500	0.164	2	115.3500	0.027	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|H<1>,2|C<3>}	111.2233	1.418	6	112.1980	3.854	20	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.6725	2.130	13	112.1980	3.854	20	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|H<1>,2|C<3>}	111.8780	0.000	1	112.1980	3.854	20	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	114.1530	0.000	1	114.1530	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.8420	0.000	1	113.5205	0.921	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.1990	0.000	1	113.5205	0.921	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.2970	0.000	1	112.2970	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	113.1750	0.000	1	113.1750	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	111.0620	0.000	1	111.0620	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.2090	0.000	1	114.2090	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.4405	0.311	4	110.4405	0.097	4	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.7370	0.000	1	114.7370	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	115.9620	0.000	1	115.9620	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.2250	0.000	1	113.2250	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.3053	0.842	6	112.3053	0.709	6	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.0540	0.000	1	110.0540	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.8673	0.998	3	112.8673	0.996	3	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	110.7413	2.703	15	110.7413	7.306	15	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	113.7093	0.603	3	113.7093	0.364	3	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	108.5760	0.000	1	108.5760	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	114.1690	0.000	1	114.1690	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.1250	0.000	1	114.1250	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.9140	0.000	1	114.9140	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.2690	0.488	2	111.4993	1.896	3	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	109.9600	0.000	1	111.4993	1.896	3	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.2640	0.000	1	110.2640	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	113.2030	1.126	2	113.2030	1.267	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	114.4350	0.000	1	114.4350	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	113.9030	0.000	1	113.9030	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.0110	0.076	2	114.0110	0.006	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.4535	1.320	4	113.4354	1.307	5	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.3630	0.000	1	113.4354	1.307	5	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	115.7030	0.427	2	115.7030	0.182	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	114.8980	0.000	1	114.8980	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	115.7420	0.000	1	115.7420	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.9845	1.372	6	112.9845	1.882	6	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.8200	0.000	1	113.8200	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.0235	0.740	2	113.0235	0.548	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NSrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NSrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.4505	0.250	2	113.4505	0.062	2	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NSrP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NSrP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.2090	0.000	1	110.2090	0.000	1	112.4484	4.214	123	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	117.4450	0.000	1	117.4450	0.000	1	114.0350	5.307	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	112.3750	0.000	1	112.3750	0.000	1	114.0350	5.307	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OB[5]Mg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OB[5]Mg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.1110	0.000	1	113.1110	0.000	1	114.0350	5.307	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OSn2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	C(C[6a]C[6a]2)2(OSn2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	113.2090	0.000	1	113.2090	0.000	1	114.0350	5.307	4	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	113.9700	0.899	2	113.9700	0.809	2	113.7100	0.607	3	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	113.1900	0.000	1	113.1900	0.000	1	113.7100	0.607	3	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	115.7606	1.132	8	115.7606	1.281	8	115.7711	1.004	10	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	C(C[6a]C[6a]2)2(SRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	115.8130	0.240	2	115.8130	0.058	2	115.7711	1.004	10	112.5105	2.816	2573	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:C-4:C[6a]-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	112.6850	15.882	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6a]-3:C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C[6a,6a]-3:C-4:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	115.5030	0.000	1	115.5030	0.000	1	115.5030	0.000	1	112.6850	15.882	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.1445	0.439	2	115.1445	0.193	2	115.1445	0.193	2	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.9400	0.000	1	114.9400	0.000	1	114.9100	0.002	2	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.8800	0.000	1	114.8800	0.000	1	114.9100	0.002	2	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1945	0.540	2	112.1945	0.291	2	112.1945	0.291	2	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H)	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.2600	0.000	1	115.2600	0.000	1	113.2057	5.104	3	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	110.7860	0.000	1	112.1785	3.878	2	113.2057	5.104	3	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.5710	0.000	1	112.1785	3.878	2	113.2057	5.104	3	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	113.1160	0.000	1	113.1160	0.000	1	111.6932	1.127	6	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	111.4840	0.000	1	111.4840	0.000	1	111.6932	1.127	6	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	111.4490	0.120	2	111.3898	1.065	4	111.6932	1.127	6	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3305	1.780	2	111.3898	1.065	4	111.6932	1.127	6	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]N[5]H)(C[6a]C[6a]H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]N[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.7697	0.653	3	114.7697	0.427	3	114.7697	0.427	3	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.9970	0.320	2	114.9970	0.102	2	114.9970	0.102	2	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	110.1110	0.000	1	111.0520	0.838	12	111.0520	0.838	12	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	112.9990	0.000	1	111.0520	0.838	12	111.0520	0.838	12	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8687	0.691	9	111.0520	0.838	12	111.0520	0.838	12	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	111.6960	0.000	1	111.0520	0.838	12	111.0520	0.838	12	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a,6a]H)(CC[6a]N[5]H)(C[6a]C[6a]H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a,6a]H)(CC[6a]N[5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|H<1>}	113.1693	0.796	4	113.1693	0.633	4	113.1693	0.633	4	112.7098	3.286	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:C[6a]-3:N[6a]-2:	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.0748	1.593	5	112.0748	2.537	5	112.0748	2.537	5	112.0748	2.537	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:2:	4:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:O[6a]-2:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a])	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7800	0.443	2	109.7800	0.196	2	109.7800	0.196	2	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	110.6473	1.096	6	110.6473	1.200	6	112.4241	1.834	25	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.7816	0.838	15	112.7816	0.703	15	112.4241	1.834	25	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.3860	0.000	1	113.3860	0.000	1	112.4241	1.834	25	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	113.7190	0.000	2	113.7190	0.000	2	112.4241	1.834	25	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.1700	0.000	1	114.1700	0.000	1	112.4241	1.834	25	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.5860	1.418	2	108.5860	2.012	2	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.7900	0.000	1	111.7900	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	112.7710	0.000	1	112.7710	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.9070	0.000	1	113.9070	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5840	0.086	2	112.5840	0.007	2	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	110.2380	1.498	2	110.2380	2.243	2	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.3220	0.105	2	113.3220	0.011	2	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	114.5343	0.938	3	113.0584	1.878	21	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8124	1.287	18	113.0584	1.878	21	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	108.8863	0.288	4	108.8863	0.083	4	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.7083	1.101	3	113.7083	1.213	3	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	116.4470	0.000	1	116.4470	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.6710	0.608	2	114.6710	0.370	2	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.2410	0.000	1	114.2410	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8700	0.000	1	111.8700	0.000	1	112.5165	4.215	44	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.0970	0.000	1	113.0970	0.000	1	114.3505	3.143	2	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.6040	0.000	1	115.6040	0.000	1	114.3505	3.143	2	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.7750	0.000	1	111.5550	9.857	2	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3350	0.000	1	111.5550	9.857	2	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	116.0435	0.477	2	114.1032	3.439	5	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.5700	0.000	1	114.1032	3.439	5	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4295	0.336	2	114.1032	3.439	5	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	113.0420	0.000	1	113.0420	0.000	1	113.3335	4.712	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[3]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.2135	1.780	4	113.2135	3.170	4	113.2135	3.170	4	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.0078	1.139	4	113.8098	1.169	5	113.8098	1.169	5	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	113.0180	0.000	1	113.8098	1.169	5	113.8098	1.169	5	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.2135	0.872	2	114.2135	0.760	2	114.2135	0.760	2	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.9170	0.000	1	108.9170	0.000	1	110.2358	3.200	48	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.2358	3.200	48	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2670	1.817	46	110.2670	3.302	46	110.2358	3.200	48	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1930	2.486	8	110.1930	6.180	8	110.1930	6.180	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.0390	0.013	2	112.0390	0.000	2	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.1350	1.918	2	113.1350	3.677	2	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.7800	0.000	1	114.7800	0.000	1	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.9144	0.746	8	114.9144	0.557	8	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.9570	0.000	1	111.9570	0.000	1	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.9940	0.000	1	112.9940	0.000	1	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.7600	0.000	1	112.7600	0.000	1	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.0520	0.000	1	111.4764	2.788	5	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8325	0.976	4	111.4764	2.788	5	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.2190	0.000	1	115.2190	0.000	1	113.3980	3.204	22	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.4340	0.000	1	115.4340	0.000	1	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.5200	0.000	1	114.4950	0.001	2	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.4700	0.000	1	114.4950	0.001	2	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.3290	0.000	1	113.3290	0.000	1	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.9260	0.000	1	114.9260	0.000	1	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	116.1895	0.295	2	116.1895	0.087	2	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	116.0300	0.000	1	116.0300	0.000	1	115.1360	1.047	8	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5120	0.028	2	112.5120	0.001	2	112.4353	0.018	3	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.2820	0.000	1	112.2820	0.000	1	112.4353	0.018	3	112.1126	5.104	182	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.9835	3.604	2	109.9835	12.990	2	109.9835	12.990	2	109.9835	12.990	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	C(C[6a]C[6a]N[6a])3(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	109.8838	1.537	6	109.8838	2.361	6	109.8838	2.361	6	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	111.1351	1.476	11	111.1351	2.179	11	110.9024	3.233	17	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	111.1365	3.915	2	110.4758	5.648	6	110.9024	3.233	17	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	109.2290	0.000	1	110.4758	5.648	6	110.9024	3.233	17	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	109.2705	1.456	2	110.4758	5.648	6	110.9024	3.233	17	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C(C[6a]C[6a]N[6a])3(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	112.8120	0.000	1	110.4758	5.648	6	110.9024	3.233	17	110.6367	3.097	23	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.3185	0.332	2	110.3185	0.110	2	110.6364	2.218	24	110.6364	2.218	24	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	110.6393	1.707	16	110.6653	2.413	22	110.6364	2.218	24	110.6364	2.218	24	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.7345	1.177	6	110.6653	2.413	22	110.6364	2.218	24	110.6364	2.218	24	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.4160	2.898	2	110.4160	8.397	2	110.4160	8.397	2	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCC)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCC)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	107.7480	0.803	2	107.7480	0.645	2	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.8720	0.000	1	108.8720	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.1325	0.322	2	108.1325	0.104	2	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	112.7750	0.000	1	112.7750	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.0900	0.000	1	109.0900	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	114.5645	0.909	2	114.5645	0.826	2	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCuC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCuC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	112.7665	1.237	2	112.7665	1.530	2	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CNO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	113.0630	1.082	5	113.0630	1.170	5	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(COO)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	112.4490	0.000	1	112.4490	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(COO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.5640	2.074	30	111.5640	4.304	30	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(COO)(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	115.4250	0.000	1	115.4250	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(ORe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(COO)(ORe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.9470	0.000	1	111.9470	0.000	1	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(OSb)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(COO)(OSb)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.6570	0.936	2	111.6570	0.876	2	111.6183	4.976	51	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	110.6080	1.068	6	110.5351	5.330	87	110.6023	5.126	93	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.1865	0.494	2	110.5351	5.330	87	110.6023	5.126	93	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.5384	2.408	79	110.5351	5.330	87	110.6023	5.126	93	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	112.4787	0.791	3	112.4787	0.625	3	110.6023	5.126	93	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.6733	0.683	3	110.6733	0.467	3	110.6023	5.126	93	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.2753	2.350	27	110.2753	5.524	27	110.1640	4.826	36	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.1833	0.871	3	110.1833	0.759	3	110.1640	4.826	36	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NP[6,6])	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NP[6,6])	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.1967	2.298	3	109.1967	5.281	3	110.1640	4.826	36	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.1100	2.242	3	110.1100	5.025	3	110.1640	4.826	36	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C-4:	C(C[6a]C[5,6a]2)3(OH)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	C(C[6a]C[5,6a]2)3(OH)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	113.5993	2.385	3	113.5993	5.689	3	113.5993	5.689	3	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	120.0955	0.168	2	120.0955	0.028	2	120.0955	0.028	2	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]C)2(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]2O){1|C<3>,2|H<1>}	108.9230	0.424	4	108.9230	0.180	4	108.9230	0.180	4	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	112.5860	0.000	1	112.5860	0.000	1	111.5632	6.536	6	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	114.6800	0.000	1	114.6800	0.000	1	111.5632	6.536	6	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.2715	1.889	2	111.2715	3.567	2	111.5632	6.536	6	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.7850	3.444	2	109.7850	11.858	2	111.5632	6.536	6	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2O)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2O){2|H<1>,5|C<3>}	113.2862	0.763	4	113.2862	0.582	4	113.2862	0.582	4	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	102.6630	0.529	2	102.6630	0.280	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.2430	0.000	1	110.2430	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.3220	0.000	1	110.3220	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.3170	0.000	1	112.3170	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OAl)	C[6a](C[6a]C[6a]F)2(CC[6a]2O)	C[6a](C[6a]C[6a]F)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OAl)	C[6a](C[6a]C[6a]F)2(CC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]2O){1|C<3>,2|F<1>}	109.9877	3.960	160	109.9877	15.680	160	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.3110	0.182	2	112.0510	0.879	6	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.9210	1.178	4	112.0510	0.879	6	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.8580	1.118	4	112.8580	1.250	4	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.7705	3.192	107	110.8190	10.401	113	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|N<2>,2|H<1>}	111.6847	4.011	6	110.8190	10.401	113	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.9380	4.731	3	110.9380	22.382	3	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OCo)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OCo)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.7642	1.386	6	109.7642	1.920	6	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.7814	2.158	9	109.7814	4.659	9	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.6394	1.420	8	110.6394	2.017	8	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	112.4510	0.000	1	112.4510	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.2830	0.000	1	109.2830	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	112.8340	0.000	1	112.8340	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,2|H<1>}	112.3040	0.707	2	112.3040	0.500	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.8900	2.290	4	109.8900	5.246	4	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.8053	1.043	6	110.8178	0.941	28	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.8212	0.975	22	110.8178	0.941	28	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.9153	1.509	4	110.9153	2.276	4	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.7015	2.822	2	110.7015	7.964	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]N[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)2(CC[6a]2O){1|C<3>}	113.3390	0.178	2	113.3390	0.032	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.7070	1.089	2	111.7070	1.186	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|C<4>}	110.7913	0.779	4	109.9762	3.085	8	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.7090	0.595	2	109.9762	3.085	8	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	107.6135	2.126	2	109.9762	3.085	8	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|C<4>}	111.6170	1.373	3	111.6170	1.885	3	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.7980	0.000	1	111.8010	0.967	7	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.2707	0.674	4	111.8010	0.967	7	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.8630	1.028	2	111.8010	0.967	7	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.9745	1.506	4	110.9745	2.268	4	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.4870	1.795	2	110.8809	2.183	150	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|C<4>}	110.8765	1.365	2	110.8809	2.183	150	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.8720	1.487	138	110.8809	2.183	150	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|H<1>,2|C<3>}	111.1290	1.039	6	110.8809	2.183	150	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|N<2>,2|H<1>}	109.1480	0.416	2	110.8809	2.183	150	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]N[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)2(CC[6a]2O){1|C<3>}	109.9725	6.532	2	109.9725	42.661	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.8905	0.565	2	111.8905	0.319	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.1250	0.071	2	112.1250	0.005	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.7600	6.245	2	110.7600	39.002	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O)	C(C[6a]C[6a]2)3(OH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]2O){1|C<4>,1|H<1>,1|N<2>}	112.3470	0.000	1	112.3470	0.000	1	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	109.0873	2.240	3	109.0873	5.017	3	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OMo)	C[6a](C[6a]C[6a]F)2(CC[6a]2O)	C[6a](C[6a]C[6a]F)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OMo)	C[6a](C[6a]C[6a]F)2(CC[6a]2O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]2O){1|C<3>,2|F<1>}	110.8740	3.671	6	110.8740	13.478	6	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(ON)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	111.9928	2.420	15	111.9928	5.855	15	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){3|C<3>}	111.9847	1.853	3	111.9847	3.433	3	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OSi)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OSi)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.9377	2.972	3	110.9377	8.834	3	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OSn)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OSn)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.2955	3.629	6	110.2955	13.172	6	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	112.8155	0.404	2	112.8155	0.163	2	110.6338	8.451	580	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.9123	1.953	4	111.9123	3.814	4	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SC)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	110.8255	2.984	38	110.8255	8.902	38	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.2451	2.057	9	111.2451	4.230	9	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.0353	1.472	3	111.0353	2.168	3	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SH)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SH)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.1970	0.346	3	111.1970	0.119	3	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SN)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SN)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.7220	0.521	5	111.7220	0.271	5	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SN[5])	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SN[5])	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.8837	2.536	3	111.8837	6.429	3	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SNb)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SNb)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	110.4593	0.788	3	110.4593	0.621	3	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SNi)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SNi)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	110.7093	1.313	6	110.7093	1.724	6	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SS)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SS)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.2931	3.637	8	111.2931	13.226	8	111.0629	6.265	82	110.7503	7.716	864	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:2:	4:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:N[6a]-2:	C-4:C[6a]-3:C[6a]-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:2:	C[6a]-3:C[6]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:N[6a]-2:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	110.7367	1.035	3	110.7367	1.071	3	110.7367	1.071	3	110.7367	1.071	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.9300	0.000	1	114.9300	0.000	1	114.9300	0.000	1	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3760	0.000	1	111.3760	0.000	1	109.9813	2.368	8	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1213	1.582	4	110.1213	2.501	4	109.9813	2.368	8	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.1380	0.000	1	111.1380	0.000	1	109.9813	2.368	8	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.4255	0.934	2	108.4255	0.873	2	109.9813	2.368	8	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4000	1.138	4	112.4000	1.295	4	112.4000	1.295	4	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8720	0.041	2	110.8720	0.002	2	110.2867	1.029	3	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.1160	0.000	1	109.1160	0.000	1	110.2867	1.029	3	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.7270	0.000	1	114.7270	0.000	1	112.1102	3.566	24	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.9964	1.845	23	111.9964	3.403	23	112.1102	3.566	24	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.6550	1.423	2	111.6550	2.024	2	111.6550	2.024	2	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.0840	0.484	2	115.0840	0.234	2	115.0840	0.234	2	111.8882	3.999	47	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3)	C(C[6a]C[6a]N[6a])4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3){1|C<3>,2|H<1>}	108.7355	3.178	2	108.7355	10.103	2	108.7355	10.103	2	109.7714	15.175	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	C(C[6a]C[6a]N[6a])3(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	110.4620	4.849	3	110.4620	23.509	3	110.4620	23.509	3	109.7714	15.175	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]N)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6]N)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.4260	0.000	1	111.4260	0.000	1	112.6033	2.076	4	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHN)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CHN)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	114.6430	0.000	1	114.6430	0.000	1	112.6033	2.076	4	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHN)(CNS)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CHN)(CNS)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.7780	0.000	1	111.7780	0.000	1	112.6033	2.076	4	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHN)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CHN)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.6033	2.076	4	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(COO)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	106.9380	0.283	2	106.9380	0.080	2	106.9380	0.080	2	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.6253	0.190	3	109.6253	0.036	3	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.4287	4.519	3	109.4287	20.418	3	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.6134	3.969	15	110.6134	15.756	15	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.2828	2.557	119	110.2828	6.539	119	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CN[5]O)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CN[5]O)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.4113	3.002	15	110.4113	9.015	15	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.2481	2.256	66	110.2481	5.090	66	110.2831	6.798	221	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|C<4>}	110.0173	3.288	3	109.9715	7.216	6	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	109.9257	2.687	3	109.9715	7.216	6	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	110.1124	2.992	27	110.0786	9.692	33	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	109.9265	3.931	6	110.0786	9.692	33	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|C<4>}	108.9663	5.105	3	109.1392	16.133	291	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	109.6070	5.719	3	109.1392	16.133	291	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	109.1223	4.044	273	109.1392	16.133	291	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|C<3>,2|I<1>}	109.3963	3.064	6	109.1392	16.133	291	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C[6a](C[6a]C[6a]H)2(CC[6a]3)	C(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]3){1|N<2>,2|H<1>}	109.5015	3.576	6	109.1392	16.133	291	109.2482	15.362	330	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NCC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.9433	5.255	3	109.9433	27.614	3	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.1975	3.212	165	110.1975	10.315	165	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.9027	5.283	3	109.9027	27.914	3	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.1195	2.896	18	110.1195	8.387	18	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.2922	2.872	9	110.2922	8.246	9	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NFF)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NFF)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	111.5840	2.930	3	111.5840	8.586	3	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.7943	0.612	8	110.7943	0.375	8	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.6090	1.415	25	110.6090	2.002	25	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NHP)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.5926	0.993	9	110.5926	0.985	9	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NIrH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NIrH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	111.5190	0.000	1	111.5190	0.000	1	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NIrH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NIrH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.9155	4.571	2	110.9155	20.898	2	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NLiC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NLiC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.6808	2.122	9	109.6808	4.501	9	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NMgC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NMgC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.6944	3.298	9	109.6944	10.880	9	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NP[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NP[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.1075	1.386	6	110.1075	1.920	6	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.8853	1.062	3	109.8853	1.128	3	110.2439	8.327	273	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(OSn2)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[6a]2O)	C(C[6a]C[6a]2)3(OSn2)	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2O){1|C<3>,2|H<1>}	110.1348	4.211	6	110.1348	17.733	6	110.1348	17.733	6	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PCW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PCW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.5000	0.922	3	111.5000	0.850	3	111.0455	1.573	6	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.5910	1.569	3	110.5910	2.461	3	111.0455	1.573	6	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SCu2)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SCu2)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	111.1787	1.864	6	111.1787	3.475	6	110.7621	2.670	9	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SLi2)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C[6a](C[6a]C[6a]H)2(CC[6a]2S)	C(C[6a]C[6a]2)3(SLi2)	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2S){1|C<3>,2|H<1>}	109.9290	0.655	3	109.9290	0.429	3	110.7621	2.670	9	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	112.5885	1.409	2	112.5885	1.986	2	112.5885	1.986	2	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(OFeH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(OFeH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	114.6830	0.000	1	114.6830	0.000	1	114.6790	0.000	2	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(ONiH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(ONiH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	114.6750	0.000	1	114.6750	0.000	1	114.6790	0.000	2	109.8992	10.852	855	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H)	C[6a](CC[6a]2N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	109.1460	0.000	1	109.1460	0.000	1	111.8347	2.245	10	111.8347	2.245	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H)	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](C[6a]C[6a]Cl)(CC[6a]2N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1334	1.233	9	112.1334	1.521	9	111.8347	2.245	10	111.8347	2.245	10	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:C[6]-3:N-3:	C-4:C[6a]-3:N[6a]-2:	C-4:C[6a]-3:N[6a]-2:	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	111.2895	1.333	2	111.2895	1.777	2	111.2895	1.777	2	111.2895	1.777	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]F)2	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.6120	6.141	2	109.6120	37.706	2	110.8662	6.034	12	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CB[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.1170	1.663	10	111.1170	2.766	10	110.8662	6.034	12	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7470	0.000	1	109.7470	0.000	1	107.9510	6.451	2	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	106.1550	0.000	1	106.1550	0.000	1	107.9510	6.451	2	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.0010	0.000	1	111.0010	0.000	1	109.6423	0.830	6	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]2C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3706	0.696	5	109.3706	0.484	5	109.6423	0.830	6	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.6787	3.542	9	109.6787	12.548	9	109.6787	12.548	9	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.9340	0.000	1	103.9340	0.000	1	103.9340	0.000	1	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:B[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(B[5]O[5]2)2	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(B[5]O[5]2)2	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	C[6a](CC[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	108.0004	1.894	5	108.0004	3.588	5	108.0004	3.588	5	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[5]N[5]2)	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5370	5.050	3	109.5370	25.502	3	109.5370	25.502	3	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2638	4.213	9	110.2638	17.745	9	110.2638	17.745	9	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[3]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[3]C[3,5]2)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[3]C[3,5]2)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3142	2.545	12	110.3142	6.477	12	110.3334	7.133	24	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[3]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[3]C[3]2)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[3]C[3]2)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3527	2.904	12	110.3527	8.436	12	110.3334	7.133	24	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]C[4]2)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]C[4]2)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7676	2.112	18	110.7676	4.462	18	110.4769	7.968	30	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]P[4]2)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]P[4]2)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.0409	3.710	12	110.0409	13.765	12	110.4769	7.968	30	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](CC[6a]2N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](CC[6a]2N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3730	0.000	1	111.3730	0.000	1	110.3372	8.861	28	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2989	3.026	27	110.2989	9.159	27	110.3372	8.861	28	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.4083	0.491	6	111.4083	0.241	6	110.8439	5.303	30	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5a]C[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5185	2.798	18	110.5185	7.827	18	110.8439	5.303	30	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2557	1.713	6	111.2557	2.936	6	110.8439	5.303	30	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[6]C[6]2)	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2853	5.128	6	110.2853	26.298	6	110.2853	26.298	6	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5253	6.006	3	109.5253	36.071	3	110.1242	30.525	36	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1786	5.576	33	110.1786	31.095	33	110.1242	30.525	36	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]N[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5]2)(C[6a]C[6a]H)2	C(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[6a](CC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7449	2.954	12	110.7449	8.723	12	110.6627	7.960	18	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4983	2.797	6	110.4983	7.824	6	110.6627	7.960	18	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	P[4]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[4]C[4]O[4])(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C(P[4]C[4]O[4])(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3385	1.482	6	111.3385	2.198	6	111.3385	2.198	6	110.3204	11.688	229	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	109.1290	1.353	2	109.7977	2.254	6	109.7977	2.254	6	109.7977	2.254	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	C(C[6a]C[6a]N[6a])3(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	110.1320	1.643	4	109.7977	2.254	6	109.7977	2.254	6	109.7977	2.254	6	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.3010	0.000	1	110.3010	0.000	1	111.0280	1.057	2	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.7550	0.000	1	111.7550	0.000	1	111.0280	1.057	2	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.8828	2.014	12	109.8828	4.055	12	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.1679	2.582	9	109.1679	6.666	9	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.6180	3.705	6	109.6180	13.728	6	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CFeOO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CFeOO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.8062	1.297	6	110.8062	1.683	6	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|C<4>}	111.0258	0.606	4	111.1606	0.229	12	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	111.2280	0.433	8	111.1606	0.229	12	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.3942	1.143	4	109.3942	1.306	4	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|C<4>}	107.1960	0.136	2	109.3505	2.722	38	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.4702	1.612	36	109.3505	2.722	38	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CHHO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CHHO)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	109.8665	1.427	6	109.8665	2.037	6	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CHHW)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]W)(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CHHW)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]W)(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	111.4330	0.313	4	111.4330	0.098	4	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(CHHW)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(C[6a]C[6a]2)3(CHHW)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	110.6860	0.000	2	110.6860	0.000	2	109.8664	3.520	99	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(GeBr3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C(C[6a]C[6a]2)3(GeBr3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	111.6930	0.000	1	111.6930	0.000	1	111.5605	0.035	2	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(GeI3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C(C[6a]C[6a]2)3(GeI3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	111.4280	0.000	1	111.4280	0.000	1	111.5605	0.035	2	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NC[5]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NC[5]HH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	109.8737	4.409	3	109.8737	19.443	3	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NH3)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	111.4827	1.478	223	111.4827	2.185	223	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NIrHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NIrHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	112.1932	2.103	5	112.1932	4.421	5	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NIrHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	111.0750	1.599	10	111.0750	2.558	10	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NRhHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NRhHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	112.3660	1.368	2	112.3660	1.870	2	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NRhHH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NRhHH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	111.3963	1.505	4	111.3963	2.264	4	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NRuHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NRuHH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	113.3860	0.000	1	113.3860	0.000	1	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(NRuHH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]2N)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	C(C[6a]C[6a]2)3(NRuHH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	110.6920	2.075	2	110.6920	4.304	2	111.4683	2.394	250	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PCNW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PCNW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.4187	1.839	6	110.4187	3.382	6	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PCOW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PCOW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.1628	3.295	6	110.1628	10.857	6	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PC[6]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PC[6]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.1817	4.534	3	111.1817	20.555	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.8887	3.131	3	110.8887	9.804	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.9013	4.504	3	111.9013	20.286	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PC[6a]ClW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PC[6a]ClW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.3027	1.913	3	111.3027	3.659	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PCl2W)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PCl2W)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.8290	1.995	3	111.8290	3.979	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PClCW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PClCW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.4163	1.130	3	111.4163	1.278	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PClHW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PClHW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.4277	1.258	3	111.4277	1.583	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PHNW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PHNW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.1119	1.590	21	111.1119	2.529	21	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PHOW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PHOW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	111.5998	2.099	6	111.5998	4.406	6	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PN[5]HW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PN[5]HW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.8607	1.394	3	110.8607	1.943	3	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PN[6]HW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PN[6]HW)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.7223	3.563	6	110.7223	12.694	6	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	C(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	110.8887	0.534	6	110.8887	0.285	6	111.0470	4.729	75	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6a]2Si)	C[6a](C[6a]C[6a]H)2(CC[6a]2Si)	C(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6a]2Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2Si){1|C<3>,2|H<1>}	110.6333	1.414	6	110.6333	1.999	6	110.6333	1.999	6	111.0169	3.431	434	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.8882	2.183	6	109.8882	4.766	6	109.8882	4.766	6	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3713	4.139	18	109.3713	17.134	18	109.3713	17.134	18	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:P[4]-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(P[4]C[4]2W)	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(P[4]C[4]2W)	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8380	0.794	3	111.8380	0.631	3	111.8380	0.631	3	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.7898	0.187	5	113.7898	0.035	5	113.7898	0.035	5	110.4244	12.206	34	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	107.7875	9.198	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	105.6430	0.000	1	105.6430	0.000	1	105.6430	0.000	1	107.7875	9.198	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.6090	0.000	1	110.6090	0.000	1	112.7605	9.258	2	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	114.9120	0.000	1	114.9120	0.000	1	112.7605	9.258	2	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.7350	0.000	1	110.7350	0.000	1	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.5290	0.804	4	110.5290	0.647	4	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.8905	0.950	2	110.8905	0.902	2	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	108.8790	0.000	1	108.8790	0.000	1	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.0330	0.000	1	111.0330	0.000	1	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.7362	1.477	4	110.7362	2.182	4	110.5761	1.068	13	110.8673	2.167	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.8610	0.000	1	110.8610	0.000	1	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	116.3280	0.000	1	116.3280	0.000	1	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6450	0.355	2	112.6450	0.126	2	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	110.5580	0.676	2	110.5580	0.457	2	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	110.8165	0.429	2	110.8165	0.184	2	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]CH){1|C<3>,2|H<1>}	112.2430	0.000	1	112.2430	0.000	1	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	112.4375	0.414	2	112.4375	0.171	2	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.9310	0.000	1	112.9310	0.000	1	112.1064	2.721	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]CH){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.0290	0.000	1	113.0290	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.5410	0.000	1	110.5410	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.1000	0.000	1	109.1000	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	111.0990	0.000	1	109.7990	2.009	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	109.1490	1.218	2	109.7990	2.009	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	110.8100	0.000	1	111.6737	0.647	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.8090	0.000	1	111.6737	0.647	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.4020	0.000	1	111.6737	0.647	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	111.2180	0.000	1	111.2180	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	111.4090	0.000	1	110.7825	3.103	11	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.1553	2.657	3	110.7825	3.103	11	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.9617	1.587	7	110.7825	3.103	11	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.8235	0.310	2	111.8235	0.096	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	110.9380	0.000	1	110.9380	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.9070	3.472	2	109.9070	12.054	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	116.7720	0.000	1	114.2000	13.230	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.6280	0.000	1	114.2000	13.230	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.2417	1.499	3	112.2417	2.247	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.9100	0.000	1	109.9100	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]CH){2|C<3>}	109.9830	0.000	1	109.9830	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	106.6329	3.696	18	106.9503	14.812	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	112.6630	0.000	1	106.9503	14.812	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	115.3420	0.000	1	115.3420	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	104.9820	2.028	2	104.9820	4.113	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	110.2220	1.399	4	112.1430	6.994	7	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.7043	0.909	3	112.1430	6.994	7	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.9740	0.000	1	112.9740	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	107.7700	0.991	2	107.1643	1.592	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	105.9530	0.000	1	107.1643	1.592	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CH){1|C<3>,2|H<1>}	112.7670	0.000	1	112.7670	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	112.8050	0.000	1	112.8050	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	110.3427	1.278	35	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<2>,1|C<3>,1|C<4>}	107.5545	0.500	4	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	110.9334	1.318	97	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	112.9705	1.397	4	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|I<1>}	107.8210	0.443	6	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	110.3317	0.842	46	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	109.9062	1.318	74	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	111.6180	0.000	1	110.3801	2.010	267	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.2740	0.000	1	112.0610	2.389	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.3205	0.555	2	112.0610	2.389	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	114.3290	0.000	1	112.0610	2.389	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.5928	1.183	13	110.5928	1.400	13	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]N[6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(CC[6a]CH){1|C<3>,1|H<1>}	114.7183	0.125	3	114.7183	0.016	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	110.5520	0.000	1	112.0615	2.021	8	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.2310	0.000	1	112.0615	2.021	8	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.4680	0.000	1	112.0615	2.021	8	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.4482	1.602	5	112.0615	2.021	8	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	109.4670	0.000	1	109.4670	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.7740	0.000	1	113.7740	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.1410	0.000	1	114.1410	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.1538	0.974	4	112.1538	0.948	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	112.6790	0.000	1	112.6790	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.3220	0.041	2	113.3220	0.002	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.5000	0.000	1	109.5000	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	115.5420	0.000	1	115.5420	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5]OY)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[5]OY)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.9390	3.087	2	111.9390	9.531	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.5420	0.000	1	110.5420	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.9430	0.000	1	114.9430	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	111.1360	0.000	1	111.1360	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.9280	0.000	1	110.9280	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.4840	0.000	1	113.4840	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	110.3045	0.008	2	110.2268	1.364	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	110.1490	2.017	2	110.2268	1.364	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>,3|H<1>}	114.3355	1.761	2	114.3355	3.103	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.7740	3.886	2	110.6598	3.667	6	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.1028	0.541	4	110.6598	3.667	6	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.7860	0.000	1	113.7860	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	116.0820	0.327	2	116.0820	0.107	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.5418	0.385	4	113.5418	0.148	4	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.9340	2.032	2	110.9340	4.130	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.2730	1.943	2	110.2730	3.776	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.2289	1.220	8	110.2289	1.487	8	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.0620	0.000	1	112.0620	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	111.6940	0.000	1	111.6940	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	109.6320	1.954	2	109.6320	3.820	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.7100	0.000	1	112.7100	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.9770	0.000	1	112.9770	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.2760	0.000	1	110.2760	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	109.6730	0.000	1	109.6730	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.4918	0.990	12	113.4918	0.980	12	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.8605	0.193	2	113.8605	0.037	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.7360	1.187	6	111.7360	1.409	6	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	112.7580	0.000	1	112.7580	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.3157	1.275	3	112.3157	1.626	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.0640	0.000	1	111.0640	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6620	0.000	1	112.0290	1.120	9	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.7440	0.000	1	112.0290	1.120	9	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.7732	1.156	6	112.0290	1.120	9	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.2160	0.000	1	112.0290	1.120	9	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	111.6758	1.441	97	111.5602	2.315	126	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	112.6250	0.457	2	111.5602	2.315	126	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	111.1063	1.578	16	111.5602	2.315	126	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	111.0076	2.056	11	111.5602	2.315	126	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.9090	1.541	2	113.9090	2.376	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH){1|C<3>,2|H<1>}	114.2600	0.000	2	114.2600	0.000	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.2433	1.549	3	111.2433	2.399	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.1417	0.891	3	112.0427	1.810	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.9775	0.166	2	112.0427	1.810	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6619	1.083	8	112.0427	1.810	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.0228	1.732	6	112.0427	1.810	19	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	113.6870	0.000	1	113.6870	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.9085	1.781	2	111.9085	3.173	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.5490	0.000	1	111.9300	0.766	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	111.3110	0.000	1	111.9300	0.766	2	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.6088	2.488	6	112.6088	6.190	6	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	111.4953	1.483	3	111.4953	2.198	3	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.7320	0.000	1	111.7320	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CNPU)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CNPU)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	112.0450	0.000	1	112.0450	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.7580	0.000	1	111.7580	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	112.9170	0.000	1	112.9170	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CZrNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(C[6a]C[6a]2)2(CZrNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	114.7910	0.000	1	114.7910	0.000	1	111.0031	4.095	626	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCo2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(C[6a]C[6a]2)2(CCo2C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	109.2850	0.000	1	109.2850	0.000	1	110.9450	5.511	2	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CF3)(O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	112.6050	0.000	1	112.6050	0.000	1	110.9450	5.511	2	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	112.5910	0.000	1	112.5910	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.2225	0.995	2	111.2225	0.990	2	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN)	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN){1|C<3>,2|H<1>}	120.4710	0.000	1	120.4710	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.0233	0.220	3	113.0233	0.048	3	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	112.1760	0.280	2	112.1760	0.078	2	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NC[6]RuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NC[6]RuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	111.3455	1.604	2	111.3455	2.574	2	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.7720	0.000	1	111.7720	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	113.7360	0.000	1	113.7360	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NNiCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NNiCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	110.9325	1.317	2	110.9325	1.735	2	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	117.0513	1.225	3	117.0513	1.500	3	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	114.7595	0.640	2	114.7595	0.410	2	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	110.1240	0.000	1	110.1240	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NRuCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[6a]2)2(NRuCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	112.1090	0.000	1	112.1090	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CC[6a]HN)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	111.2860	0.000	1	111.2860	0.000	1	113.1820	7.059	23	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP)	C[6a](C[6a]C[6a]F)2(CC[6a]FP)	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(CC[6a]FP){1|C<3>,2|F<1>}	115.9280	3.141	2	115.9280	9.866	2	115.9280	9.866	2	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	111.3320	0.000	1	111.3320	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	112.7200	0.000	1	112.7200	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	113.7310	1.636	2	113.7310	2.677	2	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	113.9120	0.000	1	113.9120	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	113.1460	0.000	1	113.1460	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]AuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]AuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	115.4580	0.000	1	115.4580	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	117.7540	0.000	1	117.7540	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	110.9570	0.000	1	110.9570	0.000	1	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PRhCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	C(C[6a]C[6a]2)2(PRhCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	107.7240	1.234	3	107.7240	1.523	3	112.1594	10.759	12	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	117.7185	0.532	2	117.7185	0.284	2	117.7185	0.284	2	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	114.8170	0.619	2	114.8170	0.384	2	115.1253	2.467	6	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	116.0670	2.022	2	116.0670	4.090	2	115.1253	2.467	6	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	114.4920	2.257	2	114.4920	5.094	2	115.1253	2.467	6	111.1849	4.742	687	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	112.5860	6.139	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[5a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	112.5860	6.139	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	112.5860	6.139	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3620	0.000	1	111.3620	0.000	1	111.9496	0.788	5	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5830	0.000	1	112.0845	0.497	2	111.9496	0.788	5	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.5860	0.000	1	112.0845	0.497	2	111.9496	0.788	5	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.1630	0.000	1	113.1630	0.000	1	111.9496	0.788	5	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.0540	0.000	1	111.0540	0.000	1	111.9496	0.788	5	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8250	0.000	1	112.8250	0.000	1	111.6980	2.540	2	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5710	0.000	1	110.5710	0.000	1	111.6980	2.540	2	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2250	0.000	1	110.2250	0.000	1	112.0307	1.486	6	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.3918	0.938	5	112.3918	0.880	5	112.0307	1.486	6	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.7220	0.000	1	111.7220	0.000	1	113.5730	6.852	2	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2{3|C<3>}	115.4240	0.000	1	115.4240	0.000	1	113.5730	6.852	2	112.1649	1.766	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	109.1792	0.834	4	109.1792	0.696	4	109.1792	0.696	4	108.4626	3.090	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	108.4626	3.090	5	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	108.5880	0.000	1	108.5880	0.000	1	109.5990	2.005	5	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	108.3300	0.000	1	108.3300	0.000	1	109.5990	2.005	5	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.8030	0.000	1	111.8030	0.000	1	109.5990	2.005	5	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.1230	0.000	1	109.1230	0.000	1	109.5990	2.005	5	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.1510	0.000	1	110.1510	0.000	1	109.5990	2.005	5	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	111.4970	0.000	1	111.4970	0.000	1	110.6520	1.428	2	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	109.8070	0.000	1	109.8070	0.000	1	110.6520	1.428	2	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.1680	0.095	2	109.1680	0.009	2	109.1680	0.009	2	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.9470	0.000	1	108.9470	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.2400	0.642	2	109.2400	0.412	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCFH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCFH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.0730	0.000	1	108.0730	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	109.7773	1.297	6	109.7773	1.681	6	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CO){1|C<3>,2|H<1>}	105.9230	0.020	2	105.9230	0.000	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.8320	0.686	2	109.8320	0.470	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.2039	1.792	10	109.2039	3.211	10	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.3520	0.000	2	108.3520	0.000	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(ONi)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(ONi)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	105.7590	0.000	1	105.7590	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHN)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	106.7110	0.000	1	106.7110	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.3140	2.804	4	110.0957	5.663	13	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.5542	2.115	9	110.0957	5.663	13	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.1703	0.586	6	110.1703	0.343	6	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.2710	0.000	1	108.2710	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	107.2010	0.000	1	107.2010	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.8835	1.955	20	109.8835	3.822	20	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.4140	0.000	1	109.4140	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.0800	0.000	1	108.0800	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	108.8150	0.000	1	108.8150	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.0107	0.834	6	109.0107	0.696	6	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.2915	2.210	2	110.0240	2.656	3	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.4890	0.000	1	110.0240	2.656	3	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	116.7750	0.000	1	116.7750	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.4520	0.000	1	109.4520	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.7700	0.669	2	108.1770	1.218	22	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.2926	0.925	18	108.1770	1.218	22	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	106.5435	2.075	2	108.1770	1.218	22	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	110.3860	0.000	1	110.3860	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.3162	1.375	6	110.4411	1.686	7	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|N<2>,2|H<1>}	111.1910	0.000	1	110.4411	1.686	7	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.0763	1.263	3	109.0763	1.596	3	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.5030	0.000	1	108.5030	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCo2C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(C[6a]C[6a]2)2(CCo2C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	112.5176	2.053	5	112.5176	4.214	5	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CF3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	C(C[6a]C[6a]2)2(CF3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	111.6025	1.710	2	111.6025	2.926	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OGa)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OGa)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.0800	0.000	1	109.0800	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]CO){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.0230	0.000	1	109.0230	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.3200	0.000	1	110.3200	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO){1|C<3>,2|H<1>}	110.8765	1.187	2	110.8765	1.410	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.4590	0.000	1	111.4590	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.9620	0.000	1	108.9620	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OIn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OIn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	105.2280	0.000	1	105.2280	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(OZn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CH3)(OZn)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.3930	0.000	1	108.3930	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CHHN)(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.6355	0.148	2	111.6355	0.022	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(OGe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CHHN)(OGe)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.1850	0.000	1	110.1850	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CHHN)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.7512	1.330	4	110.7512	1.770	4	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHP)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CHHP)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.3800	1.003	4	109.3800	1.007	4	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHS)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CHHS)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	107.2850	0.000	1	107.2850	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	112.3857	1.460	7	112.3857	2.131	7	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.9660	0.000	1	108.9660	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5]HH)(OAl)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CN[5]HH)(OAl)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	107.9250	0.000	1	107.9250	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	111.0070	0.000	1	111.0070	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.2390	0.000	1	110.2390	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.5390	1.342	2	109.5390	1.801	2	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CPtCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CPtCH)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CRuCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CRuCC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	110.7070	0.000	1	110.7070	0.000	1	109.6442	3.861	160	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	108.7285	0.175	2	108.7285	0.031	2	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	108.8575	0.531	2	108.8575	0.282	2	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	110.3000	1.130	3	110.3000	1.277	3	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	109.9135	0.583	2	109.9135	0.340	2	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	109.1285	0.743	2	109.1285	0.552	2	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(SH)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6a]HH)(SH)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	108.4120	0.000	1	108.4120	0.000	1	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HS)(SPt)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CC[6a]HS)(SPt)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	107.8810	0.000	1	107.8810	0.000	1	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHO)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CHHO)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	112.7270	0.000	1	112.7270	0.000	1	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CHHS)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]2)2(CHHS)(SCu)	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	107.9220	0.000	1	107.9220	0.000	1	109.4065	1.778	15	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]C[5]O){1|H<1>,4|C<3>}	112.5000	0.088	2	112.5000	0.008	2	112.5000	0.008	2	109.6602	3.610	186	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.8197	1.304	3	108.8197	1.699	3	108.8197	1.699	3	109.8320	2.448	7	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2755	1.954	2	111.2755	3.817	2	111.2755	3.817	2	109.8320	2.448	7	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2H)(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.8320	2.448	7	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	109.8320	2.448	7	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	2:3:4:	3:3:4:	C[6a]-3:C[6a]-3:S-4:C-3:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS)	C[6a](C[6a]C[6a]H)2(CC[6a]CS)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CS){1|C<3>,2|H<1>}	115.5710	0.556	2	115.5710	0.309	2	115.5710	0.309	2	115.5710	0.309	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	2:4:3:	4:3:3:	C[6a]-3:C[6a]-3:P[6]-4:C-3:	N[6a]-2:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H)	C[6a](CC[6a]P[6]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[6a]P[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.3495	2.461	2	111.3495	6.059	2	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.9770	0.000	1	110.9770	0.000	1	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	112.2692	3.847	5	112.2692	14.802	5	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.3513	1.094	3	110.3513	1.196	3	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	112.5015	0.134	2	112.5015	0.018	2	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.8650	0.000	1	110.8650	0.000	1	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.4730	0.000	1	109.4730	0.000	1	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){2|Br<1>,1|C<3>}	109.9060	0.000	1	109.9060	0.000	1	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	112.3915	0.480	2	112.3915	0.231	2	111.4503	5.044	18	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CCCH)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	107.5850	0.000	1	107.5850	0.000	1	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHN)(NRuH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CCHN)(NRuH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	114.7040	0.000	1	114.7040	0.000	1	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CH3)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	112.9200	0.000	1	112.9200	0.000	1	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	110.7360	0.000	1	110.7360	0.000	1	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	112.2235	0.822	2	112.2235	0.676	2	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	115.1696	1.179	5	115.1696	1.390	5	113.2945	6.738	11	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OMg2)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OMg2)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	108.1600	0.260	3	108.1600	0.067	3	108.1095	0.055	4	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(OZn2)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(C[6a]C[6a]2)2(CCHH)(OZn2)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	107.9580	0.000	1	107.9580	0.000	1	108.1095	0.055	4	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(NZnHH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	C(C[6a]C[6a]2)2(NZnHH)(COO)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	113.4762	1.126	5	113.4762	1.268	5	113.4762	1.268	5	111.8991	6.846	38	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:2:4:	3:2:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	106.5630	1.857	2	106.5630	3.448	2	106.5630	3.448	2	106.5630	3.448	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]CC){1|In<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.6513	0.087	3	109.6513	0.007	3	109.6513	0.007	3	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCCH)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCCH)(CF3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.7370	0.000	1	110.7370	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CCHO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CCHO)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.3550	0.000	1	110.3550	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.6950	0.000	1	109.6950	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	107.7790	0.000	1	107.7790	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CCHH)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CCHH)(CHHN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.0480	0.000	1	109.0480	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.9980	0.000	1	109.9980	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	108.3990	0.000	1	108.3990	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|H<1>,2|C<3>}	109.7790	0.000	1	109.7790	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.4755	0.661	15	111.4652	0.409	16	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CF3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|H<1>,2|C<3>}	111.3110	0.000	1	111.4652	0.409	16	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.2010	0.136	3	110.2010	0.019	3	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	111.3910	0.000	1	111.3910	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.2490	0.505	2	110.2490	0.255	2	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	110.8500	0.000	1	110.8500	0.000	1	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.9700	0.000	1	110.3257	1.403	35	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.9520	0.040	2	110.3257	1.403	35	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.3405	1.158	17	110.3257	1.403	35	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.5580	0.000	1	110.3257	1.403	35	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.2271	1.391	14	110.3257	1.403	35	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){2|Br<1>,1|C<3>}	111.9600	0.000	1	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<2>,1|C<3>,1|H<1>}	109.5760	0.000	1	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	109.4172	1.441	4	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	108.8736	1.717	9	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.5015	0.521	2	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|H<1>,1|N<2>}	106.5337	1.380	4	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,1|H<1>,1|N<3>}	107.8950	0.926	2	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	109.6981	1.242	13	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	108.9817	1.408	30	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|I<1>}	109.3430	0.000	1	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<4>,2|C<3>}	110.2188	1.935	10	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|H<1>,2|C<3>}	109.4770	0.000	1	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){2|Br<1>,1|C<3>}	109.3380	0.875	7	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(C[6a]C[6a]2)2(CH3)2	C[6a](C[6a]C[6a]H)2(CC[6a]CC){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]CC){3|C<3>}	110.0023	1.009	3	109.2261	2.426	88	109.7784	2.356	154	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP)	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]SiP){1|C<3>,2|H<1>}	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	109.7926	2.340	158	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.2680	0.000	1	108.2680	0.000	1	109.6750	3.959	2	110.1857	2.762	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.0820	0.000	1	111.0820	0.000	1	109.6750	3.959	2	110.1857	2.762	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:Si-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(SiC3)	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]Si)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	110.1857	2.762	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:1:	2:4:3:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	O[6a]-2:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:1:	3:4:2:	3:4:3:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C-4:N[6a]-2:	C[6a]-3:C-4:C[6a]-3:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>}	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4813	0.523	6	110.4813	0.274	6	110.3953	0.221	8	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1170	0.000	1	110.1170	0.000	1	110.3953	0.221	8	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1570	0.000	1	110.1570	0.000	1	110.3953	0.221	8	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1432	0.667	4	110.1432	0.445	4	109.7844	0.977	5	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.3490	0.000	1	108.3490	0.000	1	109.7844	0.977	5	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6]C[6]2Co)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]N[5a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	110.6035	2.377	15	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	3:3:4:	3:3:4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.3630	0.000	1	111.6275	0.140	2	111.1817	0.312	4	111.1817	0.312	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	3:3:4:	3:3:4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	111.8920	0.000	1	111.6275	0.140	2	111.1817	0.312	4	111.1817	0.312	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	3:3:4:	3:3:4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	110.7360	0.047	2	110.7360	0.002	2	111.1817	0.312	4	111.1817	0.312	4	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H)	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	110.9327	4.592	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O){2|C<3>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.7545	2.999	2	110.7545	8.993	2	110.7545	8.993	2	110.9327	4.592	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4510	0.000	1	112.4510	0.000	1	112.4510	0.000	1	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.4110	0.000	1	108.4110	0.000	1	111.2945	16.629	2	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.1780	0.000	1	114.1780	0.000	1	111.2945	16.629	2	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.5030	0.000	1	111.5030	0.000	1	111.8083	0.529	4	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]F)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.9100	0.855	3	111.9100	0.731	3	111.8083	0.529	4	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8740	0.000	1	111.8740	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6]C[5]Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[5]Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.8345	0.540	2	111.8345	0.291	2	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.4720	0.000	1	114.4720	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.2345	0.087	2	112.2345	0.008	2	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.0080	0.000	1	112.0080	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	112.3000	0.000	1	112.3000	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.8560	0.000	1	113.8560	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]2Rh)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.8700	0.000	1	115.8700	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]2Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5812	1.711	5	110.5812	2.928	5	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3403	0.793	3	110.3403	0.628	3	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.0750	0.000	1	112.0750	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4863	2.492	3	112.4863	6.208	3	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2{1|C<3>,2|H<1>}	112.9920	0.000	1	112.9920	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	111.4170	0.000	1	111.4170	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.6630	0.000	1	112.6630	0.000	1	111.9620	2.969	25	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2340	0.000	1	110.2340	0.000	1	109.4703	0.749	3	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	109.0885	0.790	2	109.0885	0.624	2	109.4703	0.749	3	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.7210	0.000	1	112.7210	0.000	1	112.9972	2.287	8	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.7100	0.000	1	112.7100	0.000	1	112.9972	2.287	8	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.7190	0.000	1	115.7190	0.000	1	112.9972	2.287	8	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4977	1.572	4	112.4977	2.472	4	112.9972	2.287	8	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.9972	2.287	8	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(O)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	111.9105	3.207	44	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	3:4:3:	3:4:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C[6a]-3:	C[6a]-3:C-4:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>}	111.2965	0.599	2	111.2965	0.359	2	111.2965	0.359	2	111.2965	0.359	2	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.9140	0.000	1	108.9140	0.000	1	111.8810	3.648	9	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.1985	1.958	6	112.1985	3.834	6	111.8810	3.648	9	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[3]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.4120	0.212	2	112.4120	0.045	2	111.8810	3.648	9	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3x6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[3x6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5325	0.694	2	109.5325	0.481	2	109.3240	0.167	6	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C(C[4]C[4]S[4]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.2323	0.332	3	109.2323	0.110	3	109.3240	0.167	6	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[4]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[4]C[6a]C[4]N[4])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2	C(C[4]C[6a]C[4]N[4])(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[4]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.1820	0.000	1	109.1820	0.000	1	109.3240	0.167	6	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5,5,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1550	0.163	2	110.1550	0.026	2	109.0897	3.418	3	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	106.9590	0.000	1	106.9590	0.000	1	109.0897	3.418	3	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.4270	0.000	1	108.4270	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.2750	0.000	1	107.2750	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	109.1570	0.000	1	109.7138	0.954	18	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7465	0.997	17	109.7138	0.954	18	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Mn)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]2Mn)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.6110	0.000	1	110.6110	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OAl)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OAl)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	106.8650	0.677	2	106.8650	0.459	2	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.4080	0.000	1	113.4080	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OCo)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OCo)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	104.8415	1.058	4	104.8415	1.120	4	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFe)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFe)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.0920	0.000	1	107.0920	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5914	1.702	16	109.5914	2.897	16	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.5700	0.000	1	111.5700	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	110.9867	1.833	3	111.1474	1.878	5	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3885	0.773	2	111.1474	1.878	5	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5500	0.133	2	109.5500	0.018	2	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4335	0.499	6	110.4335	0.249	6	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.1857	0.821	6	108.1857	0.674	6	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.7514	1.474	9	110.6117	1.472	72	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	111.2135	0.413	4	110.6117	1.472	72	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3970	1.104	59	110.6117	1.472	72	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	108.4810	0.413	6	108.4810	0.171	6	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	109.9184	0.765	11	110.2271	1.267	29	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.4157	1.282	18	110.2271	1.267	29	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3800	0.546	2	110.3800	0.298	2	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.8350	0.000	1	108.8350	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.1730	0.000	1	115.1730	0.000	1	110.0149	2.733	176	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6,6]C[6a]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.1300	0.790	3	107.1300	0.623	3	107.1300	0.623	3	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.9880	0.000	1	109.9880	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	106.2700	0.000	1	106.2700	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	109.3210	1.165	2	109.3210	1.358	2	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]2Cr)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.5413	1.292	4	111.5413	1.668	4	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]2Fe)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.1790	0.000	1	109.1790	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.2610	0.000	1	114.2610	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	114.8365	0.316	2	114.8365	0.100	2	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.7010	0.041	2	108.7010	0.002	2	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3617	3.704	3	109.3617	13.722	3	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.3250	0.000	1	107.3250	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8660	0.000	1	110.8660	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.9480	0.000	1	113.9480	0.000	1	110.5902	7.631	20	110.0603	3.381	219	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	3:3:4:	3:3:4:	B-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(CC[6a]2B)	C[6a](C[6a]C[6a]H)2(CC[6a]2B)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(CC[6a]2B){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2B){1|C<3>,2|H<1>}	106.6830	2.219	2	106.6830	4.924	2	108.0900	8.401	3	108.0900	8.401	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	3:3:4:	3:3:4:	B-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2B)	C[6a](C[6a]C[6a]H)2(CC[6a]2B)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2B){1|C<3>,2|H<1>}	110.9040	0.000	1	110.9040	0.000	1	108.0900	8.401	3	108.0900	8.401	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCO)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCO)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.0520	0.103	2	110.0520	0.011	2	110.0520	0.011	2	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.2790	0.000	1	103.2790	0.000	1	103.2790	0.000	1	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)3	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)3	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.0553	1.393	3	109.0553	1.942	3	109.2493	12.696	12	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.3140	4.117	9	109.3140	16.953	9	109.2493	12.696	12	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7355	0.463	2	109.7355	0.215	2	109.0880	1.511	5	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.6563	1.489	3	108.6563	2.217	3	109.0880	1.511	5	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFeH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OFeH)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.0535	1.222	4	110.0535	1.493	4	109.0061	2.260	8	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OZn2)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OZn2)	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.9587	0.924	4	107.9587	0.854	4	109.0061	2.260	8	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6,6]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Ge[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(Ge[6]C[5,6]2H)(C[6a]C[6a]2)3	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2	C(Ge[6]C[5,6]2H)(C[6a]C[6a]2)3	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.1930	0.977	2	110.1930	0.955	2	110.1930	0.955	2	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[3]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[3]C[3]O[3]Cr)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C(P[3]C[3]O[3]Cr)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8963	5.519	3	110.8963	30.462	3	111.1366	17.657	18	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[3]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[3]C[3]O[3]Mo)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C(P[3]C[3]O[3]Mo)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.0707	4.710	3	111.0707	22.183	3	111.1366	17.657	18	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[3]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[3]C[3]O[3]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2	C(P[3]C[3]O[3]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2132	4.206	12	111.2132	17.692	12	111.1366	17.657	18	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[3x6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[3x6]C[6,6,6a]3)(C[6a]C[6a]2)3	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2	C(P[3x6]C[6,6,6a]3)(C[6a]C[6a]2)3	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CP[3x6]C[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[4]C[4]O[4]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C(P[4]C[4]O[4]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3198	4.099	6	111.3198	16.805	6	111.3260	12.507	8	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[4]N[4]S[4]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2	C(P[4]N[4]S[4]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3445	1.877	2	111.3445	3.525	2	111.3260	12.507	8	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[5]C[5,6]O[5]Mo)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C(P[5]C[5,6]O[5]Mo)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.3027	1.668	3	111.3027	2.783	3	111.2052	2.051	12	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[5]C[5,6a]O[5]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C(P[5]C[5,6a]O[5]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.2363	0.822	3	111.2363	0.676	3	111.2052	2.051	12	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[5]N[5,6]O[5]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2	C(P[5]N[5,6]O[5]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	111.1410	1.765	6	111.1410	3.117	6	111.2052	2.051	12	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(P[6]C[6]O[6]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[6])(C[6a]C[6a]H)2	C[6a](CC[6a]2P[6])(C[6a]C[6a]H)2	C(P[6]C[6]O[6]W)(C[6a]C[6a]2)3	C[6a](CC[6a]2P[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]2P[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5038	1.760	6	110.5038	3.098	6	110.5038	3.098	6	110.3663	9.765	76	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5,6]C[5]Li)(C[6a]C[6a]2)2(CC[5]HH)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[5]Li)(C[6a]C[6a]2)2(CC[5]HH)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.7350	0.000	1	109.7350	0.000	1	105.6377	12.591	3	105.6377	12.591	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.5890	0.000	2	103.5890	0.000	2	105.6377	12.591	3	105.6377	12.591	3	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	5:3:3:1:	4:3:3:	4:3:3:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120
490	643	643	0:SP3_SP2_SP2	C	C[6a]	C[6a]	5:3:3:2:	4:3:3:	4:3:3:	C[6]-5:C[6a]-3:C[6a]-3:S-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C(C[6]C[6]N[6]ThH)(C[6a]C[6a]2)2(STh)	C[6a](CC[6a]C[6]S)(C[6a]C[6a]H)2	C[6a](CC[6a]C[6]S)(C[6a]C[6a]H)2	C(C[6]C[6]N[6]ThH)(C[6a]C[6a]2)2(STh)	C[6a](CC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	111.7675	7.079	9120	111.7675	7.079	9120